SCHEMBL332785

SCHEMBL332785

NC(=O)C1(c2cccc(Sc3ccc(-c4ccnn4CC4CCCC4)cc3)c2)CCOCC1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 7/20 0.59
PIK3CD O00329 8/20 0.42
HRH3 Q9Y5N1 1/20 0.34
OPRM1 P35372 3/20 0.33
ROCK2 O75116 1/20 0.31
PIK3R2 O00459 1/20 0.30
PIK3CA P42336 1/20 0.30
PIK3CB P42338 1/20 0.30
PIK3CG P48736 1/20 0.30
PIK3R5 Q8WYR1 1/20 0.30
PIK3R3 Q92569 1/20 0.30

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
SCHEMBL332323 0.97 ALOX5 (0.58) ALOX5PIK3CDHRH3OPRM1
SCHEMBL333095 0.88 ALOX5 (0.63) ALOX5PIK3CDHRH3
SCHEMBL332709 0.87 ALOX5 (0.62) ALOX5PIK3CD
SCHEMBL332615 0.86 ALOX5 (0.59) ALOX5PIK3CD
SCHEMBL332654 0.85 ALOX5 (0.58) ALOX5PIK3CD
SCHEMBL332760 0.85 ALOX5 (0.58) ALOX5PIK3CD
Pf-4191834 SCHEMBL29369341 0.84 ALOX5 (0.81) ALOX5PIK3CDHRH3PIK3CAPIK3CB
Pf-4191834 SCHEMBL332973 0.84 ALOX5 (0.81) ALOX5PIK3CDHRH3PIK3CAPIK3CB
SCHEMBL3663603 0.81 ALOX5 (0.64) ALOX5PIK3CDHRH3
SCHEMBL3576895 0.79 ALOX5 (0.54) ALOX5PIK3CDHRH3OPRM1ROCK2

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8097733-B2 Pyrazole derivatives as 5-LO-inhibitors PFIZER INC. (US) 2012-01-17 US disclosed
US-8097733-B2 Pyrazole derivatives as 5-LO-inhibitors PFIZER INC. (US) 2012-01-17 US disclosed
US-8097733-B2 Pyrazole derivatives as 5-LO-inhibitors PFIZER INC. (US) 2012-01-17 US disclosed
EP-2225229-A1 PYRAZOLE DERIVATIVES AS 5-LO INHIBITORS Pfizer Inc. (US) 2010-09-08 EP disclosed
US-20090227634-A1 Pyrazole Derivatives as 5-LO-Inhibitors PFIZER INC. 2009-09-10 US disclosed
US-20090227634-A1 Pyrazole Derivatives as 5-LO-Inhibitors PFIZER INC. 2009-09-10 US disclosed
US-20090227634-A1 Pyrazole Derivatives as 5-LO-Inhibitors PFIZER INC. 2009-09-10 US disclosed
WO-2009069044-A1 PYRAZOLE DERIVATIVES AS 5-LO INHIBITORS PFIZER INC. (US) 2009-06-04 WO disclosed
WO-2009069044-A1 PYRAZOLE DERIVATIVES AS 5-LO INHIBITORS PFIZER INC. (US) 2009-06-04 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-20090227634-A1 Pyrazole Derivatives as 5-LO-Inhibitors ALOX5, ALOX15, CYP3A5 ALOX5 1/4885PIK3CD 1305/4885HRH3 4150/4885

“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.