SCHEMBL4496559

SCHEMBL4496559

CCOC(=O)c1cc(-c2cccc(Br)c2)n(C)n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 4/20 0.57
MMP2 P08253 1/20 0.52
MMP13 P45452 1/20 0.52
MMP14 P50281 1/20 0.52
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
NR1H2 P55055 1/20 0.47
CA9 Q16790 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP19A1 P11511 2/20 0.45
ALOX5 P09917 2/20 0.44
FOS P01100 1/20 0.44
JUN P05412 1/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
CACNA1F O60840 1/20 0.43
ABCB1 P08183 1/20 0.43
CACNA1D Q01668 1/20 0.43
CACNA1S Q13698 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
SCHEMBL4692320 0.86 FAAH (0.58) FAAHMMP2MMP13MMP14NPC1
SCHEMBL2203443 0.86 MMP2 (0.49) FAAHMMP2MMP13MMP14NR1H2
SCHEMBL1779589 0.85 CA9 (0.59) FAAHMMP2MMP13MMP14NR1H2
SCHEMBL30130655 0.85 FAAH (0.57) FAAHMMP2MMP13MMP14NPC1
SCHEMBL10958938 0.82 FAAH (0.54) FAAHMMP2MMP13MMP14NR1H2
SCHEMBL30504042 0.82 FAAH (0.54) FAAHMMP2MMP13MMP14NR1H2
SCHEMBL2203114 0.81 RPA1 (0.51) NPC1RAB9AMAPT
SCHEMBL4504419 0.80 PLA2G10 (0.55) FAAHNPC1RAB9ACA9SMN1; SMN2
SCHEMBL15868122 0.80 SMN1; SMN2 (0.45) FAAHMMP2MMP13MMP14NPC1
SCHEMBL17375118 0.80 FAAH (0.52) FAAHMMP2MMP13MMP14NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9206136-B2 Pyrazolyl-based carboxamides I Grünenthal GmbH (DE) 2015-12-08 US disclosed
US-9206136-B2 Pyrazolyl-based carboxamides I Grünenthal GmbH (DE) 2015-12-08 US disclosed
WO-2014108337-A1 PYRAZOLYL-BASED CARBOXAMIDES I AS CRAC CHANNEL INHIBITORS Grünenthal GmbH (DE) 2014-07-17 WO disclosed
US-20140194443-A1 Pyrazolyl-Based Carboxamides I Grünenthal GmbH (DE) 2014-07-10 US disclosed
US-7589116-B2 Biaryl substituted pyrazoles as sodium channel blockers MERCK & CO. INC. (US) 2009-09-15 US disclosed
EP-1685113-B1 SUBSTITUTED PYRAZOLES AS PPAR AGONISTS SMITHKLINE BEECHAM CORP (US) 2008-07-30 EP disclosed
EP-1685113-B1 SUBSTITUTED PYRAZOLES AS PPAR AGONISTS SMITHKLINE BEECHAM CORP (US) 2008-07-30 EP disclosed
US-20080021030-A1 Substituted Pyrazoles As Ppar Agonists SMITHKLINE BEECHAM CORPORATION 2008-01-24 US disclosed
US-20080021030-A1 Substituted Pyrazoles As Ppar Agonists SMITHKLINE BEECHAM CORPORATION 2008-01-24 US disclosed
US-20080021030-A1 Substituted Pyrazoles As Ppar Agonists SMITHKLINE BEECHAM CORPORATION 2008-01-24 US disclosed
EP-1615895-A4 BIARYL SUBSTITUTED PYRAZOLES AS SODIUM CHANNEL BLOCKERS MERCK & CO INC (US) 2007-11-07 EP disclosed
US-20060183785-A1 Biaryl substituted pyrazoles as sodium channel blockers MERCK SHARP & DOHME CORP. 2006-08-17 US disclosed
EP-1615895-A1 BIARYL SUBSTITUTED PYRAZOLES AS SODIUM CHANNEL BLOCKERS Merck & Co., Inc. (US) 2006-01-18 EP disclosed
EP-1379511-B1 DIHYDRO-BENZO (b) (1, 4) DIAZEPIN-2-ONE DERIVATIVES AS MGLUR2 ANTAGONISTS II HOFFMANN LA ROCHE (CH) 2005-07-20 EP disclosed
WO-2004092140-A1 BIARYL SUBSTITUTED PYRAZOLES AS SODIUM CHANNEL BLOCKERS MERCK & CO., INC. (US) 2004-10-28 WO disclosed
EP-1379511-A1 DIHYDRO-BENZO (b) (1, 4) DIAZEPIN-2-ONE DERIVATIVES AS MGLUR2 ANTAGONISTS II F. HOFFMANN-LA ROCHE AG (CH) 2004-01-14 EP disclosed
US-6544985-B2 For therapy of acute and/or chronic neurological disorders such as psychosis, schizophrenia, Alzheimer's disease, cognitive disorders and memory deficits HOFFMAN-LA ROCHE INC. 2003-04-08 US disclosed
US-20020193367-A1 Dihydro-benzo [b] [1,4] diazepin-2-one derivatives F. HOFFMAN-LA ROCHE AG A SWISS COMPANY (CH) 2002-12-19 US disclosed
WO-2002083652-A1 DIHYDRO-BENZO [b] [1, 4] DIAZEPIN-2-ONE DERIVATIVES AS MGLUR2 ANTAGONISTS II F. HOFFMANN-LA ROCHE AG (CH) 2002-10-24 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 (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-20080021030-A1 Substituted Pyrazoles As Ppar Agonists PPARD, PPARA, PPARG FAAH 274/4885MMP2 3793/4885MMP13 2206/4885
US-20060183785-A1 Biaryl substituted pyrazoles as sodium channel blockers TRPV1, TRPA1, TRPV3 FAAH 596/4885MMP2 2594/4885MMP13 3839/4885
US-20140194443-A1 Pyrazolyl-Based Carboxamides I AADAC, HDAC3, NLRP3 FAAH 1038/4885MMP2 4450/4885MMP13 3001/4885
US-20020193367-A1 Dihydro-benzo [b] [1,4] diazepin-2-one derivatives CYP1B1, GRIN2B, BDKRB1 FAAH 606/4885MMP2 4345/4885MMP13 3418/4885

“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.