SCHEMBL635663

SCHEMBL635663

COc1cccc(C=Cc2nc3sccn3c(=O)c2-c2ccc(OCC(F)(F)F)cc2)c1OCC1CC1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 5/20 0.36
HCRTR2 O43614 5/20 0.36
ACMSD Q8TDX5 2/20 0.34
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
PKM P14618 2/20 0.32
SCN9A Q15858 1/20 0.31
LMNA P02545 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
KDM4E B2RXH2 1/20 0.31
TPH1 P17752 2/20 0.30
PDE10A Q9Y233 1/20 0.30
BTK Q06187 1/20 0.30
MAOB P27338 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
SCHEMBL4401364 1.00 HCRTR1 (0.36) HCRTR1HCRTR2ACMSDTP53MAPT
SCHEMBL637328 0.93 HCRTR1 (0.37) HCRTR1HCRTR2ACMSDTP53MAPT
SCHEMBL6032767 0.93 HCRTR1 (0.37) HCRTR1HCRTR2ACMSDTP53MAPT
SCHEMBL2372230 0.92 HCRTR1 (0.41) HCRTR1HCRTR2
SCHEMBL636245 0.92 HCRTR1 (0.41) HCRTR1HCRTR2
SCHEMBL2385466 0.92 NFE2L2 (0.38) HCRTR1HCRTR2ACMSDTP53MAPT
SCHEMBL2385471 0.92 NFE2L2 (0.38) HCRTR1HCRTR2ACMSDTP53MAPT
SCHEMBL636539 0.92 PDE10A (0.35) HCRTR1HCRTR2ACMSDTP53MAPT
SCHEMBL4399942 0.92 PDE10A (0.35) HCRTR1HCRTR2ACMSDTP53MAPT
SCHEMBL4402304 0.91 HIF1A (0.35) HCRTR1HCRTR2ACMSDTP53MAPT

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2283017-B1 FUSED PYRIMIDINEONE COMPOUNDS AS TRPV3 MODULATORS GLENMARK PHARMACEUTICALS SA (CH) 2015-08-05 EP claimed
US-8518955-B2 Fused pyrimidineone compounds as TRPV3 modulators GLENMARK PHARMACEUTICALS S.A. (CH) 2013-08-27 US claimed
US-20120115886-A1 FUSED PYRIMIDINEONE COMPOUNDS AS TRPV3 MODULATORS GLENMARK PHARMACEUTICALS S.A. 2012-05-10 US claimed
US-8119647-B2 Fused pyrimidineone compounds as TRPV3 modulators GLENMARK PHARMACEUTICALS S.A. (CH) 2012-02-21 US claimed
US-20090286811-A1 FUSED PYRIMIDINEONE COMPOUNDS AS TRPV3 MODULATORS GLENMARK PHARMACEUTICALS S.A. 2009-11-19 US claimed
EP-2283017-B1 FUSED PYRIMIDINEONE COMPOUNDS AS TRPV3 MODULATORS GLENMARK PHARMACEUTICALS SA (CH) 2015-08-05 EP disclosed
US-8518955-B2 Fused pyrimidineone compounds as TRPV3 modulators GLENMARK PHARMACEUTICALS S.A. (CH) 2013-08-27 US disclosed
EP-2626360-A1 Process for the preparation of fused pyrimidineone compounds useful as TRPV3 modulators Glenmark Pharmaceuticals S.A. (CH) 2013-08-14 EP disclosed
US-20120115886-A1 FUSED PYRIMIDINEONE COMPOUNDS AS TRPV3 MODULATORS GLENMARK PHARMACEUTICALS S.A. 2012-05-10 US disclosed
US-20120108813-A1 FUSED PYRIMIDINEONE COMPOUNDS AS TRPV3 MODULATORS GLENMARK PHARMACEUTICALS S.A. 2012-05-03 US disclosed
US-8119647-B2 Fused pyrimidineone compounds as TRPV3 modulators GLENMARK PHARMACEUTICALS S.A. (CH) 2012-02-21 US disclosed
US-20090286811-A1 FUSED PYRIMIDINEONE COMPOUNDS AS TRPV3 MODULATORS GLENMARK PHARMACEUTICALS S.A. 2009-11-19 US 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 (3 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-20090286811-A1 FUSED PYRIMIDINEONE COMPOUNDS AS TRPV3 MODULATORS TRPV3, TRPV1, TRPV4 HCRTR1 1984/4885HCRTR2 1487/4885ACMSD 2943/4885
US-20120115886-A1 FUSED PYRIMIDINEONE COMPOUNDS AS TRPV3 MODULATORS TRPV3, TRPV1, TRPV4 HCRTR1 1984/4885HCRTR2 1487/4885ACMSD 2943/4885
US-20120108813-A1 FUSED PYRIMIDINEONE COMPOUNDS AS TRPV3 MODULATORS TRPV3, TRPV1, TRPV4 HCRTR1 1984/4885HCRTR2 1487/4885ACMSD 2943/4885

“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.