SCHEMBL3026237

SCHEMBL3026237

CSc1cc(F)cc(C2(OCC3CC3)CCC(C#N)(c3ccc(F)cc3)CC2)c1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 3/20 0.32
PDE4A P27815 2/20 0.32
PDE4B Q07343 2/20 0.32
PDE4C Q08493 2/20 0.32
PDE4D Q08499 2/20 0.32
CYP2D6 P10635 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HSD11B1 P28845 1/20 0.32
BDKRB1 P46663 1/20 0.30
TACR1 P25103 1/20 0.30
SLC6A4 P31645 1/20 0.30
KCNH2 Q12809 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
SCHEMBL3026235 1.00 FFAR4 (0.32) FFAR4PDE4APDE4BPDE4CPDE4D
SCHEMBL3026233 1.00 FFAR4 (0.32) FFAR4PDE4APDE4BPDE4CPDE4D
SCHEMBL3019027 0.93 ALDH1A1 (0.36) CYP2D6ALDH1A1
SCHEMBL3019033 0.93 ALDH1A1 (0.36) CYP2D6ALDH1A1
SCHEMBL3019029 0.93 ALDH1A1 (0.36) CYP2D6ALDH1A1
SCHEMBL3025916 0.81 APP (0.37) CYP2D6ALDH1A1HSD11B1
SCHEMBL3025910 0.81 APP (0.37) CYP2D6ALDH1A1HSD11B1
SCHEMBL3025913 0.81 APP (0.37) CYP2D6ALDH1A1HSD11B1
SCHEMBL3014300 0.80 ALDH1A1 (0.43) FFAR4CYP2D6ALDH1A1
SCHEMBL3025869 0.77 HSD11B1 (0.36) FFAR4CYP2D6ALDH1A1HSD11B1KCNH2

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 FFAR4 2512/4885PDE4A 2121/4885PDE4B 1980/4885

“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.