SCHEMBL3007975

SCHEMBL3007975

CS(=O)(=O)Nc1ccccc1C#CC1(OCC2CC2)CCC(C#N)(c2ccccc2)CC1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CHRM4 P08173 1/20 0.34
NR3C1 P04150 2/20 0.33
GRM2 Q14416 1/20 0.33
BDKRB1 P46663 1/20 0.33
ADRA1D P25100 3/20 0.32
ADRA1A P35348 3/20 0.32
ADRA1B P35368 3/20 0.32
HTR5A P47898 1/20 0.31
KDM1A O60341 1/20 0.31
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31
OPRD1 P41143 1/20 0.31
OPRM1 P35372 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
SCHEMBL3007978 1.00 MEN1 (0.36) MEN1KMT2ACHRM4NR3C1GRM2
SCHEMBL3023745 0.73 OPRM1 (0.41) MEN1KMT2ACHRM4GRM2HTR5A
SCHEMBL3023747 0.73 OPRM1 (0.41) MEN1KMT2ACHRM4GRM2HTR5A
SCHEMBL3023742 0.73 OPRM1 (0.41) MEN1KMT2ACHRM4GRM2HTR5A
SCHEMBL3012254 0.65 OPRL1 (0.38) MEN1KMT2ACHRM4GRM2JAK2
SCHEMBL3012262 0.65 OPRL1 (0.38) MEN1KMT2ACHRM4GRM2JAK2
SCHEMBL3012259 0.65 OPRL1 (0.38) MEN1KMT2ACHRM4GRM2JAK2
SCHEMBL1291534 0.64 SLC22A12 (0.53) KMT2ANR3C1
SCHEMBL3019860 0.64 OPRM1 (0.39) MEN1KMT2ACHRM4GRM2HTR5A
SCHEMBL3014300 0.64 ALDH1A1 (0.43) MEN1KMT2AGRM2OPRD1OPRM1

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 MEN1 4326/4885KMT2A 3292/4885CHRM4 1445/4885

“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.