SCHEMBL333414

SCHEMBL333414

N#CC1(c2ccc(F)c(Br)c2)CCOCC1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.35
WDR5 P61964 4/20 0.33
MAP3K12 Q12852 2/20 0.33
PIK3CD O00329 1/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
NFKB1 P19838 1/20 0.33
RAB9A P51151 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
IDO1 P14902 1/20 0.32

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
SCHEMBL24457257 0.89 WDR5 (0.39) OPRM1WDR5NPC1ALDH1A1LMNA
SCHEMBL18742666 0.86 WDR5 (0.41) OPRM1WDR5NPC1ALDH1A1LMNA
SCHEMBL625872 0.86 SLC6A4 (0.38) OPRM1MAP3K12PIK3CDNPC1ALDH1A1
SCHEMBL3904568 0.82 PRKACA (0.36) OPRM1WDR5PIK3CD
SCHEMBL1625785 0.82 OPRM1 (0.47) OPRM1LMNA
SCHEMBL16897522 0.79 OPRM1 (0.38) OPRM1PIK3CD
SCHEMBL332555 0.78 PDE4A (0.45) NPC1ALDH1A1LMNARAB9A
SCHEMBL625655 0.77 OPRM1 (0.40) OPRM1NPC1ALDH1A1LMNATP53
SCHEMBL3237390 0.77 OPRM1 (0.40) OPRM1WDR5NPC1ALDH1A1RAB9A
SCHEMBL19212415 0.76 ALDH1A1 (0.42) ALDH1A1LMNARAB9A

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-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
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 OPRM1 2211/4885WDR5 2401/4885MAP3K12 2120/4885

“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.