SCHEMBL6095737

SCHEMBL6095737

Cc1nn(-c2ccc(CCN)cc2)c(C)c1I

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.45
TAAR1 Q96RJ0 7/20 0.43
CYP2A6 P11509 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.39
PDE4D Q08499 1/20 0.39
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
AR P10275 1/20 0.36
LOXL2 Q9Y4K0 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HTR1A P08908 1/20 0.35
ADRA2A P08913 1/20 0.35
SLC6A2 P23975 1/20 0.35
CYP2C19 P33261 1/20 0.35
HTR3A P46098 1/20 0.35
BACE1 P56817 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HTR2A P28223 1/20 0.35

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
SCHEMBL6096325 0.84 RAB9A (0.40) CYP1A2SMN1; SMN2PDE4DNPC1RAB9A
SCHEMBL6097009 0.81 CYP1A2 (0.40) CYP1A2SMN1; SMN2PDE4DNPC1RAB9A
SCHEMBL6096828 0.77 CYP1A2 (0.60) CYP1A2SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL6096858 0.77 CYP1A2 (0.64) CYP1A2TAAR1CYP2A6SMN1; SMN2NPC1
SCHEMBL14151614 0.75 SMN1; SMN2 (0.49) CYP1A2SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL19120569 0.75 CYP1A2 (0.50) CYP1A2SMN1; SMN2NPC1RAB9AAR
SCHEMBL6095060 0.75 CYP1A2 (0.61) CYP1A2TAAR1ARALDH1A1
SCHEMBL6097821 0.75 CYP1A2 (0.81) CYP1A2TAAR1SMN1; SMN2NPC1RAB9A
SCHEMBL17787695 0.74 SMN1; SMN2 (0.61) CYP1A2SMN1; SMN2PDE4DNPC1RAB9A
SCHEMBL6097347 0.74 CYP1A2 (0.63) CYP1A2TAAR1CYP2A6SMN1; SMN2NPC1

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 CYP1A2 670/4885TAAR1 1649/4885CYP2A6 592/4885

“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.