SCHEMBL4499206

SCHEMBL4499206

CCOC(=O)c1cc(C)n(-c2cccc(-c3ccccc3OC(F)(F)F)n2)n1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 12/20 0.53
GUCY1A1 Q02108 2/20 0.43
GUCY1B1 Q02153 2/20 0.43
MAPT P10636 2/20 0.42
KMT2A Q03164 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
SCN10A Q9Y5Y9 1/20 0.41
THRB P10828 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL5921883 0.88 SCN9A (0.55) SCN9ASCN10A
SCHEMBL4490854 0.87 SCN9A (0.67) SCN9ASCN10A
SCHEMBL4485082 0.82 SCN9A (0.77) SCN9ASCN10A
SCHEMBL4509089 0.74 CYP1A2 (0.49) MAPTKMT2ATHRBGAA
SCHEMBL4498203 0.73 SCN9A (0.86) SCN9ASCN10A
SCHEMBL29771936 0.70 APLNR (0.53) SCN9AKMT2A
SCHEMBL18939220 0.70 APLNR (0.53) SCN9AKMT2A
SCHEMBL13710452 0.69 SCN9A (0.84) SCN9ASCN10A
SCHEMBL1782081 0.69 GUCY1A1 (0.62) GUCY1A1GUCY1B1MAPTKMT2ATDP1
SCHEMBL4491446 0.69 SCN9A (1.00) SCN9ASCN10A

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-7589116-B2 Biaryl substituted pyrazoles as sodium channel blockers MERCK & CO. INC. (US) 2009-09-15 US disclosed
US-7589116-B2 Biaryl substituted pyrazoles as sodium channel blockers MERCK & CO. INC. (US) 2009-09-15 US disclosed
US-7589116-B2 Biaryl substituted pyrazoles as sodium channel blockers MERCK & CO. INC. (US) 2009-09-15 US disclosed
US-20060183785-A1 Biaryl substituted pyrazoles as sodium channel blockers MERCK SHARP & DOHME CORP. 2006-08-17 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-20060183785-A1 Biaryl substituted pyrazoles as sodium channel blockers TRPV1, TRPA1, TRPV3 SCN9A 78/4885GUCY1A1 1685/4885GUCY1B1 1401/4885

“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.