SCHEMBL635694

SCHEMBL635694

COc1cccc(C=O)c1OCC(C)C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.54
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
TLR2 O60603 1/20 0.50
ERN1 O75460 1/20 0.50
TLR1 Q15399 1/20 0.50
TLR6 Q9Y2C9 1/20 0.50
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
NFE2L2 Q16236 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 2/20 0.43
HTT P42858 2/20 0.43
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
GSK3A P49840 1/20 0.40
PRMT1 Q99873 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
SCHEMBL635557 0.85 NPC1 (0.56) SRCNPC1RAB9ATLR2ERN1
SCHEMBL3141676 0.84 TUBB1 (0.43) SRCNPC1RAB9AERN1CA1
SCHEMBL2560577 0.83 SRC (0.50) SRCNPC1RAB9ATLR2ERN1
SCHEMBL119858 0.82 SRC (0.49) SRCNPC1RAB9ATLR2ERN1
SCHEMBL1125257 0.82 SRC (0.58) SRCNPC1RAB9ATLR2ERN1
SCHEMBL6605597 0.81 SRC (0.56) SRCNPC1RAB9ATLR2ERN1
SCHEMBL3213856 0.81 SRC (0.56) SRCNPC1RAB9ATLR2ERN1
SCHEMBL16473765 0.81 SCN4A (0.50) CA1CA2SMN1; SMN2ALDH1A1HPGD
SCHEMBL637742 0.81 NPC1 (0.61) SRCNPC1RAB9ATLR2ERN1
SCHEMBL2532027 0.80 KDM4E (0.61) NPC1RAB9ACA1CA2NFE2L2

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 28 patents — showing the first 20. 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
EP-2848614-A2 Acrylamide derivatives as antibiotic agents Debiopharm International SA (CH) 2015-03-18 EP disclosed
US-20140107106-A1 THERAPEUTIC AGENTS, AND METHODS OF MAKING AND USING THE SAME AFFINIUM PHARMACEUTICALS, INC. (CA) 2014-04-17 US disclosed
US-20140107106-A1 THERAPEUTIC AGENTS, AND METHODS OF MAKING AND USING THE SAME AFFINIUM PHARMACEUTICALS, INC. (CA) 2014-04-17 US 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-103159788-A Condensed imidazole formamide serving as transient receptor potential vanillin 3 (TRPV3) modifier GLENMARK PHARMACEUTICALS SA 2013-06-19 CN disclosed
US-8450307-B2 Therapeutic agents, and methods of making and using the same AFFINIUM PHARMACEUTICALS, INC. (CA) 2013-05-28 US disclosed
US-8450307-B2 Therapeutic agents, and methods of making and using the same AFFINIUM PHARMACEUTICALS, INC. (CA) 2013-05-28 US disclosed
US-8318928-B2 Fused imidazole carboxamides as TRPV3 modulators GLENMARK PHARMACEUTICALS, S.A. (CH) 2012-11-27 US disclosed
WO-2010070452-A1 FUSED IMIDAZOLE CARBOXAMIDES AS TRPV3 MODULATORS GLENMARK PHARMACEUTICALS, S.A. (CH) 2010-06-24 WO disclosed
US-20100152192-A1 FUSED IMIDAZOLE CARBOXAMIDES AS TRPV3 MODULATORS GLENMARK PHARMACEUTICALS S.A (CH) 2010-06-17 US disclosed
US-20100093705-A1 Therapeutic agents, and methods of making and using the same DEBIOPHARM INTERNATIONAL SA (CH) 2010-04-15 US disclosed
US-20100093705-A1 Therapeutic agents, and methods of making and using the same DEBIOPHARM INTERNATIONAL SA (CH) 2010-04-15 US disclosed
US-20100093705-A1 Therapeutic agents, and methods of making and using the same DEBIOPHARM INTERNATIONAL SA (CH) 2010-04-15 US 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
EP-1828167-A2 ACRYLAMIDE DERIVATIVES AS ANTIBIOTIC AGENTS Affinium Pharmaceuticals, Inc. (CA) 2007-09-05 EP disclosed
WO-2007053131-A2 ACRYLAMIDE DERIVATIVES AS ANTIBIOTIC AGENTS AFFINIUM PHARMACEUTICALS, INC. (CA) 2007-05-10 WO disclosed
US-20060142265-A1 Compositions comprising multiple bioactive agents, and methods of using the same AFFINIUM PHARMACEUTICALS, INC. (CA) 2006-06-29 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 (5 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 SRC 2347/4885NPC1 1334/4885RAB9A 3204/4885
US-20100093705-A1 Therapeutic agents, and methods of making and using the same MCL1, DHFR, ANXA5 SRC 2862/4885NPC1 1203/4885RAB9A 2777/4885
US-20140107106-A1 THERAPEUTIC AGENTS, AND METHODS OF MAKING AND USING THE SAME MCL1, DHFR, ANXA5 SRC 2862/4885NPC1 1203/4885RAB9A 2777/4885
US-20100152192-A1 FUSED IMIDAZOLE CARBOXAMIDES AS TRPV3 MODULATORS TRPV3, TRPV1, TRPV2 SRC 2927/4885NPC1 744/4885RAB9A 2769/4885
US-20060142265-A1 Compositions comprising multiple bioactive agents, and methods of using the same DBI, SERPINB1, CTSF SRC 3492/4885NPC1 317/4885RAB9A 2755/4885

“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.