SCHEMBL6094798

SCHEMBL6094798

Cc1nn(-c2ccc(CCO)cc2)c(C)c1Cc1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.69
RAB9A P51151 3/20 0.69
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
AR P10275 7/20 0.52
TSHR P16473 1/20 0.48
RECQL P46063 1/20 0.44
NR3C1 P04150 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
P2RX7 Q99572 3/20 0.43

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
SCHEMBL6097668 0.83 NPC1 (0.68) NPC1RAB9AMEN1KMT2AAR
SCHEMBL6096155 0.83 NPC1 (0.49) NPC1RAB9AMEN1KMT2AAR
SCHEMBL6094963 0.81 NPC1 (0.48) NPC1RAB9AMEN1KMT2AAR
SCHEMBL6110847 0.80 NPC1 (0.47) NPC1RAB9AMEN1KMT2AAR
SCHEMBL1064551 0.80 NPC1 (0.75) NPC1RAB9AMEN1KMT2AAR
SCHEMBL6098575 0.80 CYP1A2 (0.53) NPC1RAB9ANR3C1TDP1
SCHEMBL4234704 0.78 AR (0.77) NPC1RAB9AMEN1KMT2AAR
SCHEMBL13037374 0.77 NPC1 (0.71) NPC1RAB9AMEN1KMT2AAR
SCHEMBL6097521 0.76 KMT2A (0.57) NPC1RAB9AMEN1KMT2AAR
SCHEMBL6096325 0.76 RAB9A (0.40) NPC1RAB9AMEN1KMT2AAR

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 NPC1 2334/4885RAB9A 3940/4885MEN1 3821/4885

“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.