SCHEMBL3025450

SCHEMBL3025450

N#CC1(c2ccccc2)CCC(OCC2CC2)(c2ccc(-c3cccnc3)cc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 4/20 0.40
NAAA Q02083 1/20 0.39
TNF P01375 1/20 0.39
FFAR4 Q5NUL3 2/20 0.36
KDM1A O60341 1/20 0.36
CYP11B1 P15538 3/20 0.34
CYP1A2 P05177 1/20 0.34
CYP19A1 P11511 1/20 0.33
GRM2 Q14416 1/20 0.33
CCNK O75909 1/20 0.33
CDK12 Q9NYV4 1/20 0.33
IDO1 P14902 1/20 0.33
CYP17A1 P05093 1/20 0.33
OPRM1 P35372 1/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
BDKRB1 P46663 1/20 0.33
CTSL P07711 1/20 0.33
CTSB P07858 1/20 0.33
CTSS P25774 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
SCHEMBL3015150 0.82 IDO1 (0.44) CYP11B2NAAACYP11B1IDO1
SCHEMBL3019860 0.80 OPRM1 (0.39) KDM1AGRM2OPRM1
SCHEMBL3014300 0.80 ALDH1A1 (0.43) FFAR4GRM2OPRM1
SCHEMBL3018916 0.78 USP30 (0.36) FFAR4KDM1AGRM2OPRM1JAK2
SCHEMBL3018918 0.78 USP30 (0.36) FFAR4KDM1AGRM2OPRM1JAK2
SCHEMBL3018913 0.78 USP30 (0.36) FFAR4KDM1AGRM2OPRM1JAK2
SCHEMBL3019885 0.76 USP30 (0.36) GRM2OPRM1JAK2JAK1
SCHEMBL3019880 0.76 USP30 (0.36) GRM2OPRM1JAK2JAK1
SCHEMBL3019882 0.76 USP30 (0.36) GRM2OPRM1JAK2JAK1
SCHEMBL3014294 0.74 OPRL1 (0.37) KDM1AGRM2OPRM1

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 CYP11B2 324/4885NAAA 3393/4885TNF 3840/4885

“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.