SCHEMBL636563

SCHEMBL636563

COc1cccc(C=Cc2nc3sc4ccccc4n3c(=O)c2-c2ccc(OC(F)(F)F)cc2)c1OCC1CC1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 15/20 0.40
HCRTR2 O43614 15/20 0.40
CYP3A4 P08684 1/20 0.34
CSNK1D P48730 1/20 0.34
PDE4B Q07343 1/20 0.34
PRF1 P14222 1/20 0.33
ACMSD Q8TDX5 1/20 0.33
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.33
HTT P42858 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
SCHEMBL4401375 1.00 HCRTR1 (0.40) HCRTR1HCRTR2CYP3A4CSNK1DPDE4B
SCHEMBL636421 0.92 NFE2L2 (0.37) HCRTR1HCRTR2PDE4BACMSDKDM4E
SCHEMBL636251 0.89 HCRTR1 (0.35) HCRTR1HCRTR2CSNK1DPRF1ACMSD
SCHEMBL10145401 0.89 HCRTR1 (0.35) HCRTR1HCRTR2CSNK1DPRF1ACMSD
SCHEMBL638021 0.89 HCRTR1 (0.41) HCRTR1HCRTR2CYP3A4
SCHEMBL4404365 0.89 HCRTR1 (0.41) HCRTR1HCRTR2CYP3A4
SCHEMBL4402314 0.88 HCRTR1 (0.37) HCRTR1HCRTR2CSNK1DPRF1ACMSD
SCHEMBL4402162 0.87 CSNK1D (0.34) CSNK1DPRF1ACMSDKDM4EPOLB
SCHEMBL637224 0.87 CSNK1D (0.34) CSNK1DPRF1ACMSDKDM4EPOLB
SCHEMBL636187 0.86 HCRTR1 (0.41) HCRTR1HCRTR2CYP3A4

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 6 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
EP-2283017-B1 FUSED PYRIMIDINEONE COMPOUNDS AS TRPV3 MODULATORS GLENMARK PHARMACEUTICALS SA (CH) 2015-08-05 EP disclosed
US-8119647-B2 Fused pyrimidineone compounds as TRPV3 modulators GLENMARK PHARMACEUTICALS S.A. (CH) 2012-02-21 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 (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-20120115886-A1 FUSED PYRIMIDINEONE COMPOUNDS AS TRPV3 MODULATORS TRPV3, TRPV1, TRPV4 HCRTR1 1984/4885HCRTR2 1487/4885CYP3A4 1737/4885

“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.