SCHEMBL3012200

SCHEMBL3012200

NC(=O)[C@]1(c2ccc(F)cc2)CC[C@](Oc2ncccn2)(c2ccc(F)cn2)CC1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.38
OPRD1 P41143 2/20 0.38
OPRK1 P41145 2/20 0.38
OPRL1 P41146 2/20 0.38
HSD11B1 P28845 7/20 0.34
SYK P43405 2/20 0.33
P2RX7 Q99572 1/20 0.33
MLYCD O95822 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.31
HDAC3 O15379 2/20 0.31
NCOR2 Q9Y618 1/20 0.31
LMNA P02545 1/20 0.30
AKT1 P31749 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30

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
SCHEMBL3012206 1.00 OPRM1 (0.38) OPRM1OPRD1OPRK1OPRL1HSD11B1
SCHEMBL3023288 0.90 APP (0.39) HSD11B1P2RX7MLYCDPTGDR2
SCHEMBL3023291 0.90 APP (0.39) HSD11B1P2RX7MLYCDPTGDR2
SCHEMBL3017530 0.88 OPRM1 (0.38) OPRM1OPRD1OPRK1OPRL1HSD11B1
SCHEMBL3017524 0.88 OPRM1 (0.38) OPRM1OPRD1OPRK1OPRL1HSD11B1
SCHEMBL3007824 0.87 OPRL1 (0.40) OPRM1OPRD1OPRK1OPRL1HSD11B1
SCHEMBL3007818 0.87 OPRL1 (0.40) OPRM1OPRD1OPRK1OPRL1HSD11B1
SCHEMBL3022209 0.78 APP (0.37) HSD11B1P2RX7MLYCDPTGDR2LMNA
SCHEMBL3022207 0.78 APP (0.37) HSD11B1P2RX7MLYCDPTGDR2LMNA
SCHEMBL3024157 0.78 OPRM1 (0.39) OPRM1OPRD1OPRK1OPRL1HSD11B1

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 10 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
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-8076324-B2 Di(hetero)arylcyclohexane derivatives, their preparation, their use and pharmaceutical compositions comprising them SANOFI-AVENTIS (FR) 2011-12-13 US 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
US-20100204206-A1 Di(hetero)arylcyclohexane derivatives, their preparation, their use and pharmaceutical compositions comprising them SANOFI-AVENTIS (FR) 2010-08-12 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 1255/4885OPRD1 542/4885OPRK1 805/4885

“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.