SCHEMBL6096568

SCHEMBL6096568

COC(=O)c1cccc(-c2c(C)nn(-c3ccc(CCN)cc3)c2C)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.44
POLB P06746 1/20 0.44
GFER P55789 1/20 0.44
LOXL2 Q9Y4K0 1/20 0.43
MGLL Q99685 1/20 0.42
DHODH Q02127 1/20 0.41
LMNA P02545 2/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2B6 P20813 1/20 0.40
CNR2 P34972 1/20 0.39
OPRM1 P35372 1/20 0.39
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
PDE4D Q08499 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
SCHEMBL6100038 0.91 CYP4A11 (0.51) CYP1A2SMN1; SMN2POLBGFERMGLL
SCHEMBL6096576 0.89 CYP1A2 (0.49) CYP1A2SMN1; SMN2MGLLALDH1A1OPRM1
SCHEMBL6096391 0.85 POLB (0.41) CYP1A2SMN1; SMN2POLBGFERMGLL
SCHEMBL6097356 0.79 PTGER4 (0.50) POLBMAPT
SCHEMBL6096878 0.79 CYP1A2 (0.46) CYP1A2SMN1; SMN2MGLLALDH1A1OPRM1
SCHEMBL6096828 0.79 CYP1A2 (0.60) CYP1A2SMN1; SMN2POLBALDH1A1NPC1
SCHEMBL6096532 0.76 SMN1; SMN2 (0.56) CYP1A2SMN1; SMN2ALDH1A1CYP3A4TSHR
SCHEMBL6096951 0.76 CYP1A2 (0.56) CYP1A2SMN1; SMN2LMNAALDH1A1CYP2D6
SCHEMBL6096469 0.75 FAAH (0.53) CYP1A2CYP3A4CYP2D6CYP2C9CYP2B6
SCHEMBL6096858 0.74 CYP1A2 (0.64) CYP1A2SMN1; SMN2POLBLMNAALDH1A1

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 670/4885SMN1; SMN2 4491/4885POLB 4327/4885

“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.