SCHEMBL1270449

SCHEMBL1270449

CC(C)(C)OC(=O)N[C@H](Cc1ccccc1OC(F)(F)F)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 15/20 0.54
CACNA1C Q13936 2/20 0.54
ACE P12821 1/20 0.53
CYP3A4 P08684 1/20 0.53
SCN10A Q9Y5Y9 1/20 0.53
CTSS P25774 3/20 0.53
CTSK P43235 3/20 0.53
PTPN1 P18031 1/20 0.51

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
SCHEMBL1270451 1.00 SCN9A (0.54) SCN9ACACNA1CACECYP3A4SCN10A
SCHEMBL1269650 0.89 SCN9A (0.54) SCN9ACACNA1CCYP3A4SCN10ACTSS
SCHEMBL1269653 0.89 SCN9A (0.54) SCN9ACACNA1CCYP3A4SCN10ACTSS
SCHEMBL3376442 0.86 TACR1 (0.60) SCN9AACECTSSCTSKPTPN1
SCHEMBL31407351 0.86 TACR1 (0.60) SCN9AACECTSSCTSKPTPN1
SCHEMBL3376451 0.86 TACR1 (0.60) SCN9AACECTSSCTSKPTPN1
SCHEMBL1371647 0.86 PPARA (0.61) SCN9ACACNA1CACECYP3A4SCN10A
SCHEMBL1371645 0.86 PPARA (0.61) SCN9ACACNA1CACECYP3A4SCN10A
SCHEMBL5001325 0.86 PPARA (0.61) SCN9ACACNA1CACECYP3A4SCN10A
SCHEMBL3780647 0.85 CTSS (0.45) SCN9ACACNA1CACECYP3A4SCN10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9101616-B2 Aryl substituted carboxamide derivatives as calcium or sodium channel blockers RAQUALIA PHARMA INC. (JP) 2015-08-11 US disclosed
US-9101616-B2 Aryl substituted carboxamide derivatives as calcium or sodium channel blockers RAQUALIA PHARMA INC. (JP) 2015-08-11 US disclosed
US-20120101105-A1 ARYL SUBSTITUTED CARBOXAMIDE DERIVATIVES AS CALCIUM OR SODIUM CHANNEL BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-04-26 US disclosed
US-20120101105-A1 ARYL SUBSTITUTED CARBOXAMIDE DERIVATIVES AS CALCIUM OR SODIUM CHANNEL BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-04-26 US disclosed
US-7888345-B2 Benzaepinones as sodium channel blockers MERCK SHARP & DOHME CORP. (US) 2011-02-15 US disclosed
US-7888345-B2 Benzaepinones as sodium channel blockers MERCK SHARP & DOHME CORP. (US) 2011-02-15 US disclosed
US-7888345-B2 Benzaepinones as sodium channel blockers MERCK SHARP & DOHME CORP. (US) 2011-02-15 US disclosed
US-20090181946-A1 Benzaepinones as Sodium Channel Blockers MERCK SHARP & DOHME CORP. 2009-07-16 US disclosed
US-20090181946-A1 Benzaepinones as Sodium Channel Blockers MERCK SHARP & DOHME CORP. 2009-07-16 US disclosed
US-20090181946-A1 Benzaepinones as Sodium Channel Blockers MERCK SHARP & DOHME CORP. 2009-07-16 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 (2 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-20120101105-A1 ARYL SUBSTITUTED CARBOXAMIDE DERIVATIVES AS CALCIUM OR SODIUM CHANNEL BLOCKERS CACNA1I, CACNA1G, CACNA1H SCN9A 38/4885CACNA1C 5/4885ACE 791/4885
US-20090181946-A1 Benzaepinones as Sodium Channel Blockers TRPV1, TRPA1, KCNN1 SCN9A 160/4885CACNA1C 13/4885ACE 1203/4885

“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.