SCHEMBL3023745

SCHEMBL3023745

C#C[C@]1(OCC2CC2)CC[C@@](C#N)(c2ccccc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.41
GRM2 Q14416 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
OPRD1 P41143 1/20 0.38
KDM1A O60341 1/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
CHRM4 P08173 1/20 0.36
OPRL1 P41146 4/20 0.36
HTR5A P47898 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
SCHEMBL3023747 1.00 OPRM1 (0.41) OPRM1GRM2MEN1KMT2AOPRD1
SCHEMBL3023742 1.00 OPRM1 (0.41) OPRM1GRM2MEN1KMT2AOPRD1
SCHEMBL3019860 0.79 OPRM1 (0.39) OPRM1GRM2MEN1KMT2AOPRD1
SCHEMBL3014294 0.77 OPRL1 (0.37) OPRM1GRM2MEN1KMT2AOPRD1
SCHEMBL3014300 0.76 ALDH1A1 (0.43) OPRM1GRM2MEN1KMT2AOPRD1
SCHEMBL3007975 0.73 MEN1 (0.36) OPRM1GRM2MEN1KMT2AOPRD1
SCHEMBL3007978 0.73 MEN1 (0.36) OPRM1GRM2MEN1KMT2AOPRD1
SCHEMBL432561 0.72 OPRM1 (0.59) OPRM1MEN1KMT2AOPRD1CA12
SCHEMBL3023207 0.71 ALDH1A1 (0.37) OPRM1GRM2MEN1KMT2AKDM1A
SCHEMBL3023204 0.71 ALDH1A1 (0.37) OPRM1GRM2MEN1KMT2AKDM1A

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-2164825-B1 DI(HETERO)ARYLCYCLOHEXANE DERIVATIVES, THEIR PREPARATION, THEIR USE AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM SANOFI SA (FR) 2014-04-30 EP disclosed
US-8076324-B2 Di(hetero)arylcyclohexane derivatives, their preparation, their use and pharmaceutical compositions comprising them SANOFI-AVENTIS (FR) 2011-12-13 US disclosed
US-20100204206-A1 Di(hetero)arylcyclohexane derivatives, their preparation, their use and pharmaceutical compositions comprising them SANOFI-AVENTIS (FR) 2010-08-12 US disclosed
EP-2164825-A1 DI(HETERO)ARYLCYCLOHEXANE DERIVATIVES, THEIR PREPARATION, THEIR USE AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM Sanofi-Aventis (FR) 2010-03-24 EP disclosed
WO-2008148468-A1 DI(HETERO)ARYLCYCLOHEXANE DERIVATIVES, THEIR PREPARATION, THEIR USE AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM SANOFI-AVENTIS (FR) 2008-12-11 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-20100204206-A1 Di(hetero)arylcyclohexane derivatives, their preparation, their use and pharmaceutical compositions comprising them ATP2A1, ATP2A2, RYR2 OPRM1 1255/4885GRM2 2008/4885MEN1 4326/4885

“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.