SCHEMBL734156

SCHEMBL734156

CNC1(c2ccccc2)CCC2(CC1)OCCO2

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 10/20 0.57
OPRL1 P41146 8/20 0.57
OPRK1 P41145 1/20 0.57
OGFRL1 Q5TC84 2/20 0.48
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
ALDH1A1 P00352 3/20 0.39
POLB P06746 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
GAA P10253 1/20 0.38
TSHR P16473 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

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.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL9897862 0.98 OPRM1 (0.56) OPRM1OPRL1OPRK1OGFRL1SLC6A4
SCHEMBL10038868 0.89 OPRM1 (0.57) OPRM1OPRL1OPRK1OGFRL1SLC6A4
SCHEMBL1822928 0.84 OPRM1 (0.74) OPRM1OPRL1OPRK1OGFRL1SLC6A4
Hydrochloric Acid SCHEMBL28226628 0.82 OPRM1 (0.71) OPRM1OPRL1OPRK1OGFRL1SLC6A4
SCHEMBL19104839 0.81 OPRM1 (0.41) OPRM1OPRL1OPRK1SLC6A4SLC6A3
SCHEMBL3407459 0.81 VNN1 (0.40) OPRM1OPRL1OPRK1OGFRL1SLC6A4
Hydrochloric Acid SCHEMBL19094252 0.80 OPRM1 (0.40) OPRM1OPRL1OPRK1SLC6A4SLC6A3
SCHEMBL5036687 0.79 OPRM1 (0.58) OPRM1OPRL1OPRK1OGFRL1ALDH1A1
Hydrochloric Acid SCHEMBL28932379 0.78 OPRM1 (0.56) OPRM1OPRL1OPRK1OGFRL1ALDH1A1
SCHEMBL16678239 0.78 OPRM1 (0.36) OPRM1OPRL1OPRK1OGFRL1SLC6A4

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2649044-B1 METHOD FOR SYNTHESISING SUBSTITUTED AMINOCYCLOHEXANONE DERIVATIVES GRUENENTHAL GMBH (DE) 2017-09-20 EP disclosed
EP-2649044-B1 METHOD FOR SYNTHESISING SUBSTITUTED AMINOCYCLOHEXANONE DERIVATIVES GRUENENTHAL GMBH (DE) 2017-09-20 EP disclosed
US-8658827-B2 Method for synthesizing substituted aminocyclohexanone compounds GRUENENTHAL GMBH (DE) 2014-02-25 US disclosed
EP-2649044-A1 METHOD FOR SYNTHESISING SUBSTITUTED AMINOCYCLOHEXANONE DERIVATIVES Grünenthal GmbH (DE) 2013-10-16 EP disclosed
EP-2041142-B1 SPIROCYCLIC AZAINDOLE DERIVATIVES GRUENENTHAL GMBH (DE) 2013-10-09 EP disclosed
US-8399503-B2 Spirocyclic azaindole derivatives GRUENENTHAL GMBH (DE) 2013-03-19 US disclosed
EP-2044016-B1 4-HETEROARYL-SUBSTITUTED 1-AMINOCYCLOHEXANE-1-AND CYCLOHEXENE-1-DERIVATIVES HAVING EFFECTS ON THE OPIOD RECEPTOR SYSTEM GRUENENTHAL GMBH (DE) 2012-12-05 EP disclosed
US-20120149914-A1 Method for Synthesizing Substituted Aminocyclohexanone Compounds GRUENENTHAL GMBH (DE) 2012-06-14 US disclosed
US-20120149914-A1 Method for Synthesizing Substituted Aminocyclohexanone Compounds GRUENENTHAL GMBH (DE) 2012-06-14 US disclosed
WO-2012076165-A1 METHOD FOR SYNTHESISING SUBSTITUTED AMINOCYCLOHEXANONE DERIVATIVES Grünenthal GmbH (DE) 2012-06-14 WO disclosed
US-8138187-B2 Substituted heteroaryl derivatives GRUENENTHAL GMBH (DE) 2012-03-20 US disclosed
US-20100009986-A1 SUBSTITUTED HETEROARYL DERIVATIVES GRUNENTHAL GMBH (DE) 2010-01-14 US disclosed
US-20090156593-A1 Spirocyclic Azaindole Derivatives GRUNENTHAL GMBH (DE) 2009-06-18 US disclosed
EP-2044016-A2 4-HETEROARYL-SUBSTITUTED 1-AMINOCYCLOHEXANE-1-AND CYCLOHEXENE-1-DERIVATIVES HAVING EFFECTS ON THE OPIOD RECEPTOR SYSTEM Grünenthal GmbH (DE) 2009-04-08 EP disclosed
EP-2041142-A1 SPIROCYCLIC AZAINDOLE DERIVATIVES Grünenthal GmbH (DE) 2009-04-01 EP disclosed
WO-2008009416-A1 SPIROCYCLIC AZAINDOLE DERIVATIVES Grünenthal GmbH (DE) 2008-01-24 WO disclosed
WO-2008009415-A2 4-HETEROARYL-SUBSTITUTED 1-AMINOCYCLOHEXANE-1- AND CYCLOHEXENE-1-DERIVATIVES HAVING EFFECTS ON THE OPIOD RECEPTOR SYSTEM Grünenthal GmbH (DE) 2008-01-24 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090156593-A1 Spirocyclic Azaindole Derivatives AZI2, TPMT, AADAC OPRM1 1869/4885OPRL1 2512/4885OPRK1 615/4885
US-20100009986-A1 SUBSTITUTED HETEROARYL DERIVATIVES CYP3A43, HMGCR, ABCG2 OPRM1 1029/4885OPRL1 1562/4885OPRK1 532/4885
US-20120149914-A1 Method for Synthesizing Substituted Aminocyclohexanone Compounds CCNK, WNK2, CDK2 OPRM1 2335/4885OPRL1 3208/4885OPRK1 516/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.