⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL270833 | 1.00 | — | — | |
| SCHEMBL8018826 | 0.73 | — | — | |
| SCHEMBL15415496 | 0.67 | SLC6A2 (0.31) | — | |
| SCHEMBL13091452 | 0.65 | ITGB2 (0.41) | — | |
| SCHEMBL29990871 | 0.65 | ITGB2 (0.41) | — | |
| SCHEMBL659729 | 0.60 | — | — | |
| SCHEMBL15015718 | 0.58 | — | — | |
| SCHEMBL18278887 | 0.56 | — | — | |
| SCHEMBL2045430 | 0.56 | — | — | |
| SCHEMBL10747631 | 0.56 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 19 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120165356-A1 | SPIROCYCLIC HETEROCYCLIC DERIVATIVES AND METHODS OF THEIR USE | ADOLOR CORPORATION (US) | 2012-06-28 | — | — | US | disclosed |
| EP-2399577-A1 | Use of N-containing spirocompounds for the enhancement of cognitive function | Adolor Corporation (US) | 2011-12-28 | — | — | EP | disclosed |
| US-8071611-B2 | Spirocyclic heterocyclic derivatives and methods of their use | ADOLOR CORPORATION (US) | 2011-12-06 | — | — | US | disclosed |
| US-8022060-B2 | Spirocyclic heterocyclic derivatives and methods of their use | ADOLOR CORPORATION (US) | 2011-09-20 | — | — | US | disclosed |
| US-20110218186-A1 | SPIROCYCLIC HETEROCYCLIC DERIVATIVES AND METHODS OF THEIR USE | ADOLOR CORPORATION (US) | 2011-09-08 | — | — | US | disclosed |
| US-7906646-B2 | Spirocyclic heterocyclic derivatives and methods of their use | ADOLOR CORPORATION (US) | 2011-03-15 | — | — | US | disclosed |
| US-20100280058-A1 | SPIROCYCLIC HETEROCYCLIC DERIVATIVES AND METHODS OF THEIR USE | ADOLOR CORPORATION (US) | 2010-11-04 | — | — | US | disclosed |
| US-20100222374-A1 | SPIROCYCLIC HETEROCYCLIC DERIVATIVES AND METHODS OF THEIR USE | ADOLOR CORPORATION (US) | 2010-09-02 | — | — | US | disclosed |
| US-20100120808-A1 | SPIROCYCLIC HETEROCYCLIC DERIVATIVES AND METHODS OF THEIR USE | ADOLOR CORPORATION (US) | 2010-05-13 | — | — | US | disclosed |
| US-20100029614-A1 | SPIROCYCLIC HETEROCYCLIC DERIVATIVES AND METHODS OF THEIR USE | ADOLOR CORPORATION (US) | 2010-02-04 | — | — | US | disclosed |
| US-7638527-B2 | Spirocyclic heterocyclic derivatives and methods of their use | ADOLOR CORPORATION (US) | 2009-12-29 | — | — | US | disclosed |
| US-7598261-B2 | Spirocyclic heterocyclic derivatives and methods of their use | ADOLOR CORPORATION (US) | 2009-10-06 | — | — | US | disclosed |
| US-20080119452-A1 | METHODS FOR ENHANCING COGNITIVE FUNCTION | CALIXA THERAPEUTICS, INC. | 2008-05-22 | — | — | US | disclosed |
| US-20080102031-A1 | Spirocyclic Heterocyclic Derivatives And Methods Of Their Use | ADOLOR CORPORATION (US) | 2008-05-01 | — | — | US | disclosed |
| US-7338962-B2 | Spirocyclic heterocyclic derivatives and methods of their use | ADOLOR CORPORATION (US) | 2008-03-04 | — | — | US | disclosed |
| US-20060270695-A1 | Spirocyclic heterocyclic derivatives and methods of their use | CUBIST PHARMACEUTICALS, INC. | 2006-11-30 | — | — | US | disclosed |
| US-20050159438-A1 | Spirocyclic heterocyclic derivatives and methods of their use | ADOLOR CORPORATION | 2005-07-21 | — | — | US | disclosed |
| US-20050113294-A1 | In certain embodiments, the carboxamide and amino derivatives are ligands of the delta opioid receptor and are useful, inter alia, for treating and/or preventing pain, anxiety, gastrointestinal disorders, and other delta opioid receptor-mediated conditions | ADOLOR CORPORATION. | 2005-05-26 | — | — | US | disclosed |
| US-20050113295-A1 | Carboxamide and amino derivatives and methods of their use | ADOLOR CORPORATION | 2005-05-26 | — | — | US | disclosed |