SCHEMBL733828

SCHEMBL733828

Cc1c(C2=CCC(Cc3ccccc3)(N(C)C)CC2)[nH]c2ccc(C(F)(F)F)cc12

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 7/20 0.40
TRPV1 Q8NER1 6/20 0.40
KIF11 P52732 3/20 0.39
OGFRL1 Q5TC84 1/20 0.39
TMEM97 Q5BJF2 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
MDH2 P40926 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
CCNB2 O95067 2/20 0.36
CDK1 P06493 2/20 0.36
CCNB1 P14635 2/20 0.36
GSK3B P49841 2/20 0.36
CDK5 Q00535 2/20 0.36
CDK5R1 Q15078 2/20 0.36
CCNB3 Q8WWL7 2/20 0.36
MCHR1 Q99705 2/20 0.35
MPL P40238 1/20 0.34

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
SCHEMBL735032 0.87 OPRM1 (0.45) OPRM1OGFRL1
SCHEMBL734664 0.86 KIF11 (0.37) OPRM1KIF11OGFRL1MEN1KMT2A
SCHEMBL735918 0.86 OPRM1 (0.47) OPRM1OGFRL1MEN1KMT2A
SCHEMBL736437 0.84 KMT2A (0.46) OPRM1OGFRL1MDH2MEN1KMT2A
SCHEMBL733907 0.84 MEN1 (0.38) KIF11MEN1KMT2ACCNB2CDK1
SCHEMBL733731 0.83 OPRM1 (0.41) OPRM1OGFRL1MEN1KMT2ACCNB2
SCHEMBL733086 0.82 OPRM1 (0.45) OPRM1KIF11OGFRL1MEN1KMT2A
SCHEMBL3932517 0.77 OPRM1 (0.47) OPRM1KIF11OGFRL1SIGMAR1MEN1
Hydrochloric Acid SCHEMBL734199 0.76 OPRM1 (0.46) OPRM1KIF11OGFRL1SIGMAR1MEN1
SCHEMBL734186 0.76 OPRM1 (0.43) OPRM1TRPV1KIF11OGFRL1TMEM97

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
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
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 (1 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-20100009986-A1 SUBSTITUTED HETEROARYL DERIVATIVES CYP3A43, HMGCR, ABCG2 OPRM1 1029/4885TRPV1 3629/4885KIF11 4521/4885

“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.