SCHEMBL332777

SCHEMBL332777

N#CC1(c2cc(F)cc(Br)c2F)CCOCC1

nearest known ligand 0.30

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAP3K12 Q12852 1/20 0.30
PDE1A P54750 1/20 0.30
PDE1B Q01064 1/20 0.30
PDE1C Q14123 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
SCHEMBL333096 0.79 PDE1A (0.32) MAP3K12PDE1APDE1BPDE1C
SCHEMBL17025860 0.75 HDAC6 (0.40) MAP3K12PDE1APDE1BPDE1C
SCHEMBL332904 0.74 MAP3K12 (0.36) MAP3K12PDE1APDE1BPDE1C
SCHEMBL28689628 0.73 CNR1 (0.39) MAP3K12PDE1APDE1BPDE1C
SCHEMBL5647105 0.73 HDAC6 (0.37) MAP3K12PDE1APDE1BPDE1C
SCHEMBL31582660 0.71 HCRTR2 (0.35) MAP3K12
SCHEMBL333238 0.71 OPRL1 (0.36)
SCHEMBL333924 0.70 MAP3K12 (0.32) MAP3K12
SCHEMBL333414 0.70 OPRM1 (0.35) MAP3K12
SCHEMBL17027153 0.70 MAP3K12 (0.44) 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 2 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-20090227634-A1 Pyrazole Derivatives as 5-LO-Inhibitors PFIZER INC. 2009-09-10 US 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 MAP3K12 2120/4885PDE1A 2090/4885PDE1B 2079/4885

“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.