⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL687582 | 0.83 | — | — | |
| SCHEMBL20031392 | 0.75 | CYP2C9 (0.33) | — | |
| SCHEMBL3623909 | 0.75 | — | — | |
| SCHEMBL493581 | 0.75 | — | — | |
| SCHEMBL219662 | 0.71 | — | — | |
| SCHEMBL42886 | 0.69 | — | — | |
| SCHEMBL3612092 | 0.69 | — | — | |
| SCHEMBL1978630 | 0.69 | — | — | |
| SCHEMBL834366 | 0.69 | — | — | |
| SCHEMBL6585651 | 0.65 | CYP2C9 (0.33) | — |
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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7880007-B2 | such as 1-bicyclo[2.2.1]hept-2-yl-4-(4-methoxy-2-methyl-phenyl)-piperidine, used for the treatment of chronic obstructive pulmonary disease, asthma, urinary incontinence, vision defects and Alzheimer's disease | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-02-01 | — | — | US | claimed |
| EP-1817032-A2 | MODULATORS OF MUSCARINIC RECEPTORS | Vertex Pharmaceuticals Incorporated (US) | 2007-08-15 | — | — | EP | claimed |
| US-20060287303-A1 | Modulators of muscarinic receptors | VERTEX PHARMACEUTICALS INCORPORATED | 2006-12-21 | — | — | US | claimed |
| WO-2006058294-A2 | MODULATORS OF MUSCARINIC RECEPTORS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2006-06-01 | — | — | WO | claimed |
| EP-2880033-B1 | CYCLIC UREA- OR LACTAM-SUBSTITUTED QUINOXALINE-TYPE PIPERIDINE COMPOUNDS AND THE USES THEREOF | PURDUE PHARMA LP (US) | 2020-06-17 | — | — | EP | disclosed |
| US-9598411-B2 | Substituted benzimidazole-type piperidine compounds and uses thereof | PURDUE PHARMA L.P. (US) | 2017-03-21 | — | — | US | disclosed |
| EP-2797912-B1 | AZETIDINE-SUBSTITUTED QUINOXALINE-TYPE PIPERIDINE COMPOUNDS AND USES THEREOF | PURDUE PHARMA LP (US) | 2016-05-25 | — | — | EP | disclosed |
| US-9290488-B2 | Azetidine-substituted quinoxalines as opioid receptor like-1 modulators | PURDUE PHARMA L.P. (US) | 2016-03-22 | — | — | US | disclosed |
| US-20150322066-A1 | SUBSTITUTED BENZIMIDAZOLE-TYPE PIPERIDINE COMPOUNDS AND USES THEREOF | PURDUE PHARMA L.P. | 2015-11-12 | — | — | US | disclosed |
| US-9090618-B2 | Substituted benzimidazole-type piperidine compounds and uses thereof | PURDUE PHARMA L.P. (US) | 2015-07-28 | — | — | US | disclosed |
| US-9085561-B2 | Cyclic urea- or lactam-substituted quinoxaline-type piperidines as ORL-1 modulators | PURDUE PHARMA L.P. (US) | 2015-07-21 | — | — | US | disclosed |
| EP-2880033-A1 | CYCLIC UREA- OR LACTAM-SUBSTITUTED QUINOXALINE-TYPE PIPERIDINE COMPOUNDS AND THE USES THEREOF | Purdue Pharma LP (US) | 2015-06-10 | — | — | EP | disclosed |
| US-20140187535-A1 | SUBSTITUTED BENZIMIDAZOLE-TYPE PIPERIDINE COMPOUNDS AND USES THEREOF | SHIONOGI & CO., LTD. (JP) | 2014-07-03 | — | — | US | disclosed |
| US-20140045830-A1 | CYCLIC UREA- OR LACTAM-SUBSTITUTED QUINOXALINE-TYPE PIPERIDINE COMPOUNDS AND USES THEREOF | SHIONOGI & CO., LTD. (JP) | 2014-02-13 | — | — | US | disclosed |
| WO-2014020405-A1 | CYCLIC UREA- OR LACTAM-SUBSTITUTED QUINOXALINE-TYPE PIPERIDINE COMPOUNDS AND THE USES THEREOF | PURDUE PHARMA L.P. (US) | 2014-02-06 | — | — | WO | disclosed |
| WO-2013080036-A1 | AZETIDINE-SUBSTITUTED QUINOXALINE-TYPE PIPERIDINE COMPOUNDS AND USES THEREOF | PURDUE PHARMA L.P. (US) | 2013-06-06 | — | — | WO | disclosed |
| US-7880007-B2 | such as 1-bicyclo[2.2.1]hept-2-yl-4-(4-methoxy-2-methyl-phenyl)-piperidine, used for the treatment of chronic obstructive pulmonary disease, asthma, urinary incontinence, vision defects and Alzheimer's disease | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-02-01 | — | — | US | disclosed |
| EP-1817032-A2 | MODULATORS OF MUSCARINIC RECEPTORS | Vertex Pharmaceuticals Incorporated (US) | 2007-08-15 | — | — | EP | disclosed |
| US-20060287303-A1 | Modulators of muscarinic receptors | VERTEX PHARMACEUTICALS INCORPORATED | 2006-12-21 | — | — | US | disclosed |
| WO-2006058294-A2 | MODULATORS OF MUSCARINIC RECEPTORS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2006-06-01 | — | — | WO | disclosed |