SCHEMBL3023671

SCHEMBL3023671

O=C(O)[C@]1(c2ccccc2)CC[C@](OCC2CC2)(c2ccc(F)cn2)CC1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 2/20 0.39
AKR1C1 Q04828 1/20 0.38
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35
OPRL1 P41146 1/20 0.35
HDAC4 P56524 3/20 0.34
NPSR1 Q6W5P4 1/20 0.34
AKR1C3 P42330 1/20 0.34
AKR1C2 P52895 1/20 0.34
MLYCD O95822 1/20 0.33
HDAC3 O15379 1/20 0.33
NCOR2 Q9Y618 1/20 0.33
PTGDR Q13258 1/20 0.33

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
SCHEMBL3023673 1.00 PTGIR (0.39) PTGIRAKR1C1OPRM1OPRD1OPRK1
SCHEMBL3023669 1.00 PTGIR (0.39) PTGIRAKR1C1OPRM1OPRD1OPRK1
SCHEMBL3018749 0.95 APP (0.37) PTGIRAKR1C3AKR1C2MLYCDPTGDR
SCHEMBL3018747 0.95 APP (0.37) PTGIRAKR1C3AKR1C2MLYCDPTGDR
SCHEMBL3018744 0.95 APP (0.37) PTGIRAKR1C3AKR1C2MLYCDPTGDR
SCHEMBL3025392 0.92 OPRL1 (0.41) PTGIROPRM1OPRD1OPRK1OPRL1
SCHEMBL3025389 0.92 OPRL1 (0.41) PTGIROPRM1OPRD1OPRK1OPRL1
SCHEMBL3025385 0.92 OPRL1 (0.41) PTGIROPRM1OPRD1OPRK1OPRL1
SCHEMBL3024159 0.85 OPRM1 (0.39) PTGIROPRM1OPRD1OPRK1OPRL1
SCHEMBL3024157 0.85 OPRM1 (0.39) PTGIROPRM1OPRD1OPRK1OPRL1

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 PTGIR 835/4885AKR1C1 338/4885OPRM1 1255/4885

“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.