BCH Translational Neuroscience Center CNS Repurposing Library 1

This library was provided to ICCB-Longwood by Dr. Jed Hubbs at Boston Childrens’ Hospital in April 2026. It is a collection of 765 investigational small molecules (Phase 1-3) selected for their potential to be repurposed against CNS diseases.

The library spans nearly 600 unique molecular targets across diverse therapeutic areas including oncology, inflammation, immunology, metabolic disease, and psychiatry. Mechanism diversity is broad, covering inhibitors, agonists, antagonists, allosteric modulators, blockers, and covalent modifiers acting on kinases, GPCRs, ion channels, nuclear receptors, epigenetic regulators, and other target classes.

All compounds have been computationally profiled for predicted blood-brain barrier (BBB) penetration using ADMET-AI (Swanson et. al. Bioinformatics, 2024, btae416), with a median BBB probability of 0.83.