SCHEMBL4487059

SCHEMBL4487059

CCNC(=O)c1cc(C)n(-c2cccc(Br)c2)n1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 15/20 0.57
MEN1 O00255 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
KMT2A Q03164 1/20 0.43
RPA1 P27694 1/20 0.43
SCN9A Q15858 1/20 0.41

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
SCHEMBL11864043 0.84 RPA1 (0.48) NPY5RMEN1CYP1A2CYP2C19KMT2A
SCHEMBL3831470 0.81 KMT2A (0.52) NPY5RMEN1CYP1A2KMT2ARPA1
SCHEMBL4489535 0.80 SCN9A (0.60) NPY5RRPA1SCN9A
SCHEMBL8418676 0.76 NPC1 (0.52) NPY5RMEN1KMT2A
SCHEMBL3109266 0.74 PTGS2 (0.52)
SCHEMBL27499521 0.72 NPY5R (0.42) NPY5RMEN1KMT2ARPA1
SCHEMBL11969682 0.72 ALDH1A1 (0.47) NPY5RCYP1A2CYP2C19
SCHEMBL30088219 0.72 POLB (0.52) NPY5RRPA1
SCHEMBL17633912 0.72 POLB (0.52) NPY5RRPA1
SCHEMBL20788351 0.71 MALT1 (0.54) NPY5R

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
US-7589116-B2 Biaryl substituted pyrazoles as sodium channel blockers MERCK & CO. INC. (US) 2009-09-15 US disclosed
EP-1615895-A4 BIARYL SUBSTITUTED PYRAZOLES AS SODIUM CHANNEL BLOCKERS MERCK & CO INC (US) 2007-11-07 EP disclosed
US-20060183785-A1 Biaryl substituted pyrazoles as sodium channel blockers MERCK SHARP & DOHME CORP. 2006-08-17 US disclosed
EP-1615895-A1 BIARYL SUBSTITUTED PYRAZOLES AS SODIUM CHANNEL BLOCKERS Merck & Co., Inc. (US) 2006-01-18 EP disclosed
WO-2004092140-A1 BIARYL SUBSTITUTED PYRAZOLES AS SODIUM CHANNEL BLOCKERS MERCK & CO., INC. (US) 2004-10-28 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-20060183785-A1 Biaryl substituted pyrazoles as sodium channel blockers TRPV1, TRPA1, TRPV3 NPY5R 472/4885MEN1 3928/4885CYP1A2 1135/4885

“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.