SCHEMBL635557

SCHEMBL635557

COc1cccc(C=O)c1OCCC(C)C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.56
RAB9A P51151 1/20 0.56
SRC P12931 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.49
TLR2 O60603 1/20 0.47
ERN1 O75460 1/20 0.47
TLR1 Q15399 1/20 0.47
TLR6 Q9Y2C9 1/20 0.47
HTT P42858 2/20 0.45
ALDH1A1 P00352 2/20 0.45
HPGD P15428 1/20 0.45
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
TSHR P16473 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
NFE2L2 Q16236 3/20 0.41
MAPK1 P28482 1/20 0.41
MGAM O43451 1/20 0.40
GAA P10253 1/20 0.40
SI P14410 1/20 0.40

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
SCHEMBL635694 0.85 SRC (0.54) NPC1RAB9ASRCSMN1; SMN2TLR2
SCHEMBL637742 0.84 NPC1 (0.61) NPC1RAB9ASRCSMN1; SMN2TLR2
SCHEMBL637169 0.83 NPC1 (0.60) NPC1RAB9ASRCSMN1; SMN2TLR2
SCHEMBL7357540 0.82 NPC1 (0.59) NPC1RAB9ASRCSMN1; SMN2TLR2
SCHEMBL636533 0.82 NPC1 (0.62) NPC1RAB9ASRCSMN1; SMN2TLR2
SCHEMBL7775011 0.82 NPC1 (0.62) NPC1RAB9ASRCSMN1; SMN2TLR2
SCHEMBL31474821 0.82 NPC1 (0.59) NPC1RAB9ASRCSMN1; SMN2TLR2
SCHEMBL1852272 0.81 ALDH1A1 (0.69) SRCSMN1; SMN2HTTALDH1A1HPGD
SCHEMBL7908560 0.81 NPC1 (0.61) NPC1RAB9ASRCSMN1; SMN2TLR2
SCHEMBL636327 0.81 NPC1 (0.61) NPC1RAB9ASRCSMN1; SMN2TLR2

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 10 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
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
CN-102015715-A Fused pyrimidones as TRPV3 modulators GLENMARK PHARMACEUTICALS SA 2011-04-13 CN disclosed
EP-2283017-A1 FUSED PYRIMIDINEONE COMPOUNDS AS TRPV3 MODULATORS Glenmark Pharmaceuticals S.A. (CH) 2011-02-16 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

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 NPC1 1334/4885RAB9A 3204/4885SRC 2347/4885
US-20120115886-A1 FUSED PYRIMIDINEONE COMPOUNDS AS TRPV3 MODULATORS TRPV3, TRPV1, TRPV4 NPC1 1334/4885RAB9A 3204/4885SRC 2347/4885
US-20120108813-A1 FUSED PYRIMIDINEONE COMPOUNDS AS TRPV3 MODULATORS TRPV3, TRPV1, TRPV4 NPC1 1334/4885RAB9A 3204/4885SRC 2347/4885

“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.