SCHEMBL3012083

SCHEMBL3012083

Cc1ncn(CC2CC2)c1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 2/20 0.41
MAPK12 P53778 2/20 0.41
MAPK11 Q15759 2/20 0.41
MAPK14 Q16539 2/20 0.41
CYP11B2 P19099 3/20 0.41
YTHDC1 Q96MU7 1/20 0.40
GABRG2 P18507 6/20 0.34
GABRB3 P28472 6/20 0.34
GABRA5 P31644 6/20 0.34
KMT2A Q03164 2/20 0.34
POLB P06746 1/20 0.34
KDM4C Q9H3R0 1/20 0.34
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 1/20 0.33
GABRB2 P47870 1/20 0.33
GABRA4 P48169 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
SCHEMBL19301625 0.81 MAPK14 (0.43) MAPK13MAPK12MAPK11MAPK14CYP11B2
SCHEMBL17008875 0.78 MAPK14 (0.41) MAPK13MAPK12MAPK11MAPK14CYP11B2
SCHEMBL3017621 0.78 MAPK13 (0.41) MAPK13MAPK12MAPK11MAPK14CYP11B2
SCHEMBL20374809 0.75 MAPK14 (0.43) MAPK13MAPK12MAPK11MAPK14CYP11B2
SCHEMBL28192126 0.75 MAPK14 (0.40) MAPK13MAPK12MAPK11MAPK14CYP11B2
SCHEMBL23566135 0.75 MAPK14 (0.40) MAPK13MAPK12MAPK11MAPK14CYP11B2
SCHEMBL12677153 0.75 CYP11B2 (0.46) MAPK13MAPK12MAPK11MAPK14CYP11B2
SCHEMBL18256012 0.74 CYP11B2 (0.44) MAPK13MAPK12MAPK11MAPK14CYP11B2
SCHEMBL20011450 0.74 CYP11B2 (0.41) MAPK13MAPK12MAPK11MAPK14CYP11B2
SCHEMBL17020111 0.74 CYP11B2 (0.41) MAPK13MAPK12MAPK11MAPK14CYP11B2

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 9 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
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 MAPK13 3925/4885MAPK12 3478/4885MAPK11 3048/4885

“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.