SCHEMBL333096

SCHEMBL333096

N#CC1(c2cccc(Br)c2F)CCOCC1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE1A P54750 1/20 0.32
PDE1B Q01064 1/20 0.32
PDE1C Q14123 1/20 0.32
CNR1 P21554 2/20 0.31
HDAC4 P56524 1/20 0.31
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31
MAP3K12 Q12852 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
SCHEMBL30183839 0.89 PDE7A (0.31) HDAC4KDM4EALDH1A1HPGD
SCHEMBL21805029 0.89 PDE7A (0.31) HDAC4KDM4EALDH1A1HPGD
SCHEMBL1627286 0.84 ALDH1A1 (0.38) PDE1APDE1BPDE1CHDAC4HCRTR1
SCHEMBL31582660 0.84 HCRTR2 (0.35) CNR1HCRTR1HCRTR2MAP3K12
SCHEMBL28743577 0.82 HCRTR1 (0.31) CNR1HCRTR1HCRTR2
SCHEMBL332629 0.80
SCHEMBL332876 0.80
SCHEMBL4006359 0.79 ALDH1A1 (0.37) HDAC4HCRTR1HCRTR2KDM4EALDH1A1
SCHEMBL332777 0.79 MAP3K12 (0.30) PDE1APDE1BPDE1CMAP3K12
SCHEMBL333924 0.76 MAP3K12 (0.32) MAP3K12

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 PDE1A 2090/4885PDE1B 2079/4885PDE1C 3416/4885

“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.