SCHEMBL6098018

SCHEMBL6098018

Cc1nn(-c2ccc(CCNC(=O)Oc3ccccc3)cn2)c(C)c1-c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.46
MAPT P10636 1/20 0.46
TAAR1 Q96RJ0 2/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
GAA P10253 1/20 0.44
FAAH O00519 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL6097145 0.86 RAB9A (0.53) THRBMAPTTAAR1NPC1RAB9A
SCHEMBL6098284 0.77 CA2 (0.48) THRBMAPT
SCHEMBL6097884 0.77 CYP1A2 (0.43) THRBMAPTNPC1RAB9AGAA
SCHEMBL6096779 0.77 NPC1 (0.40) THRBMAPTNPC1RAB9AGAA
SCHEMBL6096469 0.77 FAAH (0.53) TAAR1NPC1RAB9AGAAFAAH
SCHEMBL6096435 0.75 CA1 (0.49) THRBMAPT
SCHEMBL6096276 0.74 NPC1 (0.46) MAPTTAAR1NPC1RAB9AGAA
SCHEMBL6172425 0.74 OXTR (0.39) MAPTNPC1RAB9AKMT2A
SCHEMBL6096848 0.71 KDM4E (0.42) MAPTNPC1RAB9AGAAKMT2A
SCHEMBL6097690 0.71 MEN1 (0.53) MAPTNPC1RAB9AGAAKMT2A

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 THRB 1469/4885MAPT 3914/4885TAAR1 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.