SCHEMBL6097145

SCHEMBL6097145

Cc1nn(-c2ccc(CCNC(=O)Oc3ccccc3)cc2)c(C)c1-c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.53
NPC1 O15118 2/20 0.53
TAAR1 Q96RJ0 2/20 0.50
GAA P10253 1/20 0.50
KMT2A Q03164 1/20 0.48
MAPT P10636 3/20 0.46
NPSR1 Q6W5P4 1/20 0.46
THRB P10828 1/20 0.46
POLB P06746 1/20 0.44
TP53 P04637 1/20 0.43
NR3C1 P04150 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
SCHEMBL6096469 0.89 FAAH (0.53) RAB9ANPC1TAAR1GAA
SCHEMBL6096276 0.87 NPC1 (0.46) RAB9ANPC1TAAR1GAAKMT2A
SCHEMBL6098018 0.86 THRB (0.46) RAB9ANPC1TAAR1GAAKMT2A
SCHEMBL6097324 0.79 CA1 (0.54) RAB9ANPC1MAPTTHRB
SCHEMBL6098320 0.78 CA1 (0.53) RAB9ANPC1KMT2A
SCHEMBL4450999 0.78 CA1 (0.58) RAB9ANPC1KMT2AMAPTPOLB
SCHEMBL6097893 0.77 TAAR1 (0.43) RAB9ANPC1TAAR1GAAMAPT
SCHEMBL6098575 0.77 CYP1A2 (0.53) RAB9ANPC1MAPTNPSR1POLB
SCHEMBL4446913 0.77 CA1 (0.56) RAB9ANPC1
SCHEMBL6097415 0.77 CA1 (0.57) RAB9ANPC1KMT2AMAPTTHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7001917-B2 Pyrazole compounds as anti-inflammatory and analgesic agents WARNER LAMBERT COMPANY LLC (US) 2006-02-21 US disclosed
EP-1495005-A1 PYRAZOLE COMPOUNDS AS ANTI-INFLAMMATORY AND ANALGESIC AGENTS Pfizer Japan Inc. (JP) 2005-01-12 EP disclosed
US-20040019045-A1 2-(4-(4-(4-Fluorophenyl)-3,5-imethyl-1H-pyrazol-1-yl)phenyl) ethyl (4-methylphenyl)sulfonylcarbamate ammonium salt, e.g., as an antagonist for Prostoglandin E receptor; analgesics; antipyretics; antiinflammatory agents HIRANO MISATO (JP) 2004-01-29 US disclosed
WO-2003087061-A1 PYRAZOLE COMPOUNDS AS ANTI-INFLAMMATORY AND ANALGESIC AGENTS PFIZER JAPAN INC. (JP) 2003-10-23 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 (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-20040019045-A1 2-(4-(4-(4-Fluorophenyl)-3,5-imethyl-1H-pyrazol-1-yl)phenyl) ethyl (4-methylphenyl)sulfonylcarbamate ammonium salt, e.g., as an antagonist for Prostoglandin E receptor; analgesics; antipyretics; antiinflammatory agents PTGER1, PTGS1, PTGIR RAB9A 3940/4885NPC1 2334/4885TAAR1 1649/4885

“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.