SCHEMBL3250402

SCHEMBL3250402

COC(=O)c1cnc(N2CCC(F)(F)CC2)c(Br)n1

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SCN10A Q9Y5Y9 5/20 0.41
OPRK1 P41145 10/20 0.40
DPP4 P27487 1/20 0.39
WHR1 P49842 1/20 0.38
CNR2 P34972 2/20 0.37

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
SCHEMBL14889593 0.87 CNR2 (0.43) CNR2
SCHEMBL23612212 0.85 SCN10A (0.41) SCN10AOPRK1DPP4WHR1CNR2
SCHEMBL3251915 0.84 OPRK1 (0.48) OPRK1
SCHEMBL3247164 0.82 OPRK1 (0.47) OPRK1
SCHEMBL23612156 0.82 SCN10A (0.42) SCN10AOPRK1DPP4WHR1CNR2
SCHEMBL31337782 0.79 MBOAT4 (0.43) SCN10ADPP4WHR1CNR2
SCHEMBL23612168 0.78 SCN10A (0.39) SCN10AOPRK1DPP4WHR1CNR2
SCHEMBL1760411 0.76 SMO (0.44) DPP4
SCHEMBL24993522 0.75 DPP4 (0.40) SCN10ADPP4CNR2
SCHEMBL31337786 0.74 CRBN (0.39) SCN10ADPP4WHR1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2076499-B1 PYRAZINE-2-CARBOXAMIDE DERIVATIVES AS CB2 RECEPTOR MODULATORS HOFFMANN LA ROCHE (CH) 2010-05-12 EP disclosed
US-7691863-B2 Pyrazine-2-carboxamide derivatives as CB2 receptor modulators HOFFMAN-LA ROCHE INC. (US) 2010-04-06 US disclosed
EP-2076499-A2 PYRAZINE-2-CARBOXAMIDE DERIVATIVES AS CB2 RECEPTOR MODULATORS F.HOFFMANN-LA ROCHE AG (CH) 2009-07-08 EP disclosed
WO-2008040649-A2 PYRAZINE-2-CARBOXAMIDE DERIVATIVES AS CB2 RECEPTOR MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2008-04-10 WO disclosed
US-20080085905-A1 Pyrazine-2-carboxamide derivatives F. HOFFMAN-LA ROCHE AG (CH) 2008-04-10 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-20080085905-A1 Pyrazine-2-carboxamide derivatives CNR2, CNR1, P2RY2 SCN10A 1282/4885OPRK1 170/4885DPP4 2206/4885

“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.