SCHEMBL6097494

SCHEMBL6097494

CCCCc1nn(-c2ccc(CCO)cc2)c(C)c1-c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.44
GCGR P47871 1/20 0.40
PSMB5 P28074 1/20 0.39
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
ALOX5 P09917 1/20 0.38
NR3C1 P04150 1/20 0.37
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
CYP1A2 P05177 1/20 0.37

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
SCHEMBL6096475 0.89 GCGR (0.40) GCGRNR3C1CYP1A2
SCHEMBL6171466 0.87 HSD11B1 (0.42) HSD11B1GCGRPSMB5CNR1CNR2
SCHEMBL6098575 0.82 CYP1A2 (0.53) NR3C1CYP1A2
SCHEMBL6097675 0.81 HSD11B1 (0.44) HSD11B1GCGRPSMB5CNR1CNR2
SCHEMBL6095734 0.78 CYP1A2 (0.38) NR3C1CYP1A2
SCHEMBL6097834 0.78 CNR2 (0.49) CNR1CNR2ALOX5
SCHEMBL6098136 0.77 CYP2C19 (0.42) NR3C1CYP1A2
SCHEMBL6095939 0.77 CYP1A2 (0.44) CYP1A2
SCHEMBL23400262 0.76 CNR1 (0.47) HSD11B1GCGRCNR1CNR2ALOX5
SCHEMBL6094963 0.76 NPC1 (0.48) NR3C1CYP1A2

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 HSD11B1 581/4885GCGR 46/4885PSMB5 2159/4885

“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.