SCHEMBL636327

SCHEMBL636327

CCCCCOc1c(C=O)cccc1OC

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.61
RAB9A P51151 1/20 0.61
SMN1; SMN2 Q16637 3/20 0.54
SRC P12931 1/20 0.52
ERN1 O75460 2/20 0.49
TLR2 O60603 1/20 0.49
TLR1 Q15399 1/20 0.49
TLR6 Q9Y2C9 1/20 0.49
ALDH1A1 P00352 4/20 0.46
HPGD P15428 2/20 0.46
HTT P42858 2/20 0.46
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
MEN1 O00255 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
KMT2A Q03164 1/20 0.44
ATM Q13315 1/20 0.44
TSHR P16473 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL2821669 0.98 NPC1 (0.60) NPC1RAB9ASMN1; SMN2SRCERN1
SCHEMBL636533 0.95 NPC1 (0.62) NPC1RAB9ASMN1; SMN2SRCERN1
SCHEMBL637742 0.92 NPC1 (0.61) NPC1RAB9ASMN1; SMN2SRCERN1
SCHEMBL28004812 0.89 NPC1 (0.52) NPC1RAB9ASMN1; SMN2SRCALDH1A1
SCHEMBL11439257 0.89 NPC1 (0.52) NPC1RAB9ASMN1; SMN2SRCALDH1A1
SCHEMBL1242931 0.89 NPC1 (0.52) NPC1RAB9ASMN1; SMN2SRCALDH1A1
SCHEMBL637615 0.87 NPC1 (0.60) NPC1RAB9ASMN1; SMN2SRCERN1
SCHEMBL7775011 0.86 NPC1 (0.62) NPC1RAB9ASMN1; SMN2SRCERN1
SCHEMBL14792955 0.86 ALDH1A1 (0.55) NPC1RAB9ASMN1; SMN2SRCERN1
SCHEMBL31612273 0.85 ALDH1A1 (0.44) NPC1RAB9ASMN1; SMN2ALDH1A1HPGD

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 16 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 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
CN-102086197-B Protoberberine derivative with insulin-sensitizing activity and application thereof UNIV GUIYANG MEDICAL 2013-02-20 CN disclosed
US-8349846-B2 Fused pyrimidine derivatives as TRPV3 modulators GLENMARK PHARMACEUTICALS, S.A. (CH) 2013-01-08 US 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
EP-2283017-A1 FUSED PYRIMIDINEONE COMPOUNDS AS TRPV3 MODULATORS Glenmark Pharmaceuticals S.A. (CH) 2011-02-16 EP disclosed
US-20100292254-A1 Fused Pyrimidine Derivatives as Trpv3 Modulators GLENMARK PHARMACEUTICALS, S.A. (CH) 2010-11-18 US disclosed
EP-2229388-A2 FUSED PYRIMIDINE DERIVATIVES AS TRPV3 MODULATORS Glenmark Pharmaceuticals S.A. (CH) 2010-09-22 EP disclosed
US-20090286811-A1 FUSED PYRIMIDINEONE COMPOUNDS AS TRPV3 MODULATORS GLENMARK PHARMACEUTICALS S.A. 2009-11-19 US disclosed
WO-2009130560-A1 FUSED PYRIMIDINEONE COMPOUNDS AS TRPV3 MODULATORS GLENMARK PHARMACEUTICALS S.A. (CH) 2009-10-29 WO disclosed
WO-2009109987-A2 FUSED PYRIMIDINE DERIVATIVES AS TRPV3 MODULATORS GLENMARK PHARMACEUTICALS, S.A. (CH) 2009-09-11 WO disclosed
US-6017919-A Compounds and pharmaceutical use thereof JAPAN TOBACCO INC. (JP) 2000-01-25 US disclosed
EP-0887340-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL USE THEREOF Japan Tobacco Inc. (JP) 1998-12-30 EP 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 (4 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-20100292254-A1 Fused Pyrimidine Derivatives as Trpv3 Modulators TRPV3, TRPV1, TRPV5 NPC1 1398/4885RAB9A 1584/4885SMN1; SMN2 4045/4885
US-20090286811-A1 FUSED PYRIMIDINEONE COMPOUNDS AS TRPV3 MODULATORS TRPV3, TRPV1, TRPV4 NPC1 1334/4885RAB9A 3204/4885SMN1; SMN2 3863/4885
US-20120115886-A1 FUSED PYRIMIDINEONE COMPOUNDS AS TRPV3 MODULATORS TRPV3, TRPV1, TRPV4 NPC1 1334/4885RAB9A 3204/4885SMN1; SMN2 3863/4885
US-20120108813-A1 FUSED PYRIMIDINEONE COMPOUNDS AS TRPV3 MODULATORS TRPV3, TRPV1, TRPV4 NPC1 1334/4885RAB9A 3204/4885SMN1; SMN2 3863/4885

“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.