SCHEMBL6096828

SCHEMBL6096828

Cc1nn(-c2ccc(CCN)cc2)c(C)c1-c1ccccc1

nearest known ligand 0.76

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.60
NPC1 O15118 7/20 0.52
RAB9A P51151 7/20 0.52
SMN1; SMN2 Q16637 5/20 0.52
MAPT P10636 4/20 0.47
TP53 P04637 1/20 0.47
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
POLB P06746 2/20 0.43
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.42
GRM4 Q14833 1/20 0.41

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
SCHEMBL6096858 0.89 CYP1A2 (0.64) CYP1A2NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL6095060 0.86 CYP1A2 (0.61) CYP1A2MAPTALDH1A1GAA
SCHEMBL6097821 0.86 CYP1A2 (0.81) CYP1A2NPC1RAB9ASMN1; SMN2
SCHEMBL6097502 0.86 CYP1A2 (0.53) CYP1A2NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL6098575 0.86 CYP1A2 (0.53) CYP1A2NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL6095939 0.85 CYP1A2 (0.44) CYP1A2NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL6096303 0.83 CYP1A2 (0.45) CYP1A2NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL6097575 0.83 CYP1A2 (0.56) CYP1A2NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL6097347 0.83 CYP1A2 (0.63) CYP1A2NPC1RAB9ASMN1; SMN2
SCHEMBL6096951 0.83 CYP1A2 (0.56) CYP1A2NPC1RAB9ASMN1; SMN2ALDH1A1

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 670/4885NPC1 2334/4885RAB9A 3940/4885

“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.