SCHEMBL3024157

SCHEMBL3024157

NC(=O)[C@]1(c2ccc(F)cc2)CC[C@](OCC2CC2)(c2ccc(F)cn2)CC1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.39
OPRD1 P41143 2/20 0.39
OPRK1 P41145 2/20 0.39
OPRL1 P41146 2/20 0.39
CNR2 P34972 4/20 0.34
HSD11B1 P28845 4/20 0.34
ALDH1A1 P00352 1/20 0.34
PTGIR P43119 1/20 0.33
IDO1 P14902 1/20 0.32
PARP10 Q53GL7 3/20 0.32
PARP15 Q460N3 2/20 0.32
PARP2 Q9UGN5 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
DEGS1 O15121 1/20 0.31

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
SCHEMBL3024159 1.00 OPRM1 (0.39) OPRM1OPRD1OPRK1OPRL1CNR2
SCHEMBL3024161 1.00 OPRM1 (0.39) OPRM1OPRD1OPRK1OPRL1CNR2
SCHEMBL3025385 0.94 OPRL1 (0.41) OPRM1OPRD1OPRK1OPRL1CNR2
SCHEMBL3025389 0.94 OPRL1 (0.41) OPRM1OPRD1OPRK1OPRL1CNR2
SCHEMBL3025392 0.94 OPRL1 (0.41) OPRM1OPRD1OPRK1OPRL1CNR2
SCHEMBL3018747 0.90 APP (0.37) HSD11B1ALDH1A1PTGIRIDO1
SCHEMBL3018744 0.90 APP (0.37) HSD11B1ALDH1A1PTGIRIDO1
SCHEMBL3018749 0.90 APP (0.37) HSD11B1ALDH1A1PTGIRIDO1
SCHEMBL3023671 0.85 PTGIR (0.39) OPRM1OPRD1OPRK1OPRL1PTGIR
SCHEMBL3023673 0.85 PTGIR (0.39) OPRM1OPRD1OPRK1OPRL1PTGIR

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.