⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24575709 | 0.93 | — | — | |
| SCHEMBL24875353 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL29242483 | 0.80 | — | — | |
| SCHEMBL22016520 | 0.77 | — | — | |
| SCHEMBL22017513 | 0.77 | — | — | |
| SCHEMBL22017350 | 0.77 | — | — | |
| SCHEMBL28085876 | 0.76 | — | — | |
| SCHEMBL21166100 | 0.76 | — | — | |
| SCHEMBL23469152 | 0.73 | GAA (0.32) | — | |
| SCHEMBL24736866 | 0.73 | OPRL1 (0.36) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2501231-B1 | QUINOLIZIDINONE CARBOXAMIDE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS | MERCK SHARP & DOHME (US) | 2016-12-21 | — | — | EP | disclosed |
| US-8754220-B2 | Quinolizidinone carboxamide M1 receptor positive allosteric modulators | MERCK SHARP & DOHME CORP. (US) | 2014-06-17 | — | — | US | disclosed |
| US-8754220-B2 | Quinolizidinone carboxamide M1 receptor positive allosteric modulators | MERCK SHARP & DOHME CORP. (US) | 2014-06-17 | — | — | US | disclosed |
| US-8486967-B2 | Heteroaryl substituted piperidines | HOFFMANN-LA ROCHE INC. (US) | 2013-07-16 | — | — | US | disclosed |
| US-20120232076-A1 | QUINOLIZIDINONE CARBOXAMIDE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS | MERCK SHARP & DOHME LLC | 2012-09-13 | — | — | US | disclosed |
| US-20120232076-A1 | QUINOLIZIDINONE CARBOXAMIDE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS | MERCK SHARP & DOHME LLC | 2012-09-13 | — | — | US | disclosed |
| US-20110201605-A1 | HETEROARYL SUBSTITUTED PIPERIDINES | HOFFMANN-LA ROCHE, INC. | 2011-08-18 | — | — | US | disclosed |
| WO-2011062853-A1 | QUINOLIZIDINONE CARBOXAMIDE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS | MERCK SHARP & DOHME CORP. (US) | 2011-05-26 | — | — | WO | disclosed |