SCHEMBL15850892

SCHEMBL15850892

CN(Cc1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1)C(=O)OC(C)(C)C

nearest known ligand 0.72

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CACNA1B Q00975 7/20 0.72
▸ CACNA1C Q13936 7/20 0.72
▸ CACNA1G O43497 4/20 0.72
▸ CACNA1H O95180 13/20 0.51
▸ ALDH1A1 P00352 1/20 0.34
▸ HTR2C P28335 1/20 0.34
▸ SLC6A4 P31645 1/20 0.34
▸ DRD1 P21728 1/20 0.34

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
SCHEMBL20088398 0.89 CACNA1B (0.60) CACNA1BCACNA1CCACNA1GCACNA1HHTR2C
SCHEMBL15844285 0.85 CACNA1H (0.53) CACNA1BCACNA1CCACNA1GCACNA1HALDH1A1
SCHEMBL15844641 0.85 CACNA1H (0.53) CACNA1BCACNA1CCACNA1GCACNA1HALDH1A1
SCHEMBL15844216 0.84 CACNA1H (0.71) CACNA1BCACNA1CCACNA1GCACNA1HDRD1
SCHEMBL15844578 0.84 CACNA1H (0.55) CACNA1BCACNA1CCACNA1GCACNA1HALDH1A1
SCHEMBL15844307 0.83 CACNA1H (0.52) CACNA1BCACNA1CCACNA1GCACNA1HALDH1A1
SCHEMBL16186533 0.82 CACNA1B (0.66) CACNA1BCACNA1CCACNA1GCACNA1HALDH1A1
SCHEMBL15844215 0.81 CACNA1H (0.46) CACNA1BCACNA1CCACNA1GCACNA1HALDH1A1
SCHEMBL15844410 0.81 CACNA1H (0.73) CACNA1BCACNA1CCACNA1GCACNA1HALDH1A1
SCHEMBL15844326 0.80 CACNA1H (0.72) CACNA1BCACNA1CCACNA1GCACNA1HALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10351514-B2 Benzimidazole inhibitors of the sodium channel Mark G. DeGiacomo, Interim Trustee (US) 2019-07-16 — — US disclosed
US-20180111894-A1 Benzimidazole Inhibitors of the Sodium Channel DeGiacomo, Mark G. (US) 2018-04-26 — — US disclosed
US-20170260130-A1 Benzimidazole Inhibitors of the Sodium Channel DeGiacomo, Mark G. (US) 2017-09-14 — — US disclosed
US-20170260130-A1 Benzimidazole Inhibitors of the Sodium Channel DeGiacomo, Mark G. (US) 2017-09-14 — — US disclosed
US-9688615-B2 Benzimidazole inhibitors of the sodium channel DEGIACOMO, INTERIM TRUSTEE, MARK G. (US) 2017-06-27 — — US disclosed
US-9688615-B2 Benzimidazole inhibitors of the sodium channel DEGIACOMO, INTERIM TRUSTEE, MARK G. (US) 2017-06-27 — — US disclosed
EP-3009427-A1 BENZIMIDAZOLE INHIBITORS OF THE SODIUM CHANNEL Zalicus Pharmaceuticals Ltd. (CA) 2016-04-20 — — EP disclosed
US-20150361032-A1 BENZIMIDAZOLE INHIBITORS OF THE SODIUM CHANNEL NATIONAL CENTER FOR ADDICTION STUDIES AND TREATMENT FOUNDATION 2015-12-17 — — US disclosed
US-20150361032-A1 BENZIMIDAZOLE INHIBITORS OF THE SODIUM CHANNEL NATIONAL CENTER FOR ADDICTION STUDIES AND TREATMENT FOUNDATION 2015-12-17 — — US disclosed
US-20140187533-A1 BENZIMIDAZOLE INHIBITORS OF THE SODIUM CHANNEL ZALICUS PHARMACEUTICALS LTD. (CA) 2014-07-03 — — US disclosed
US-20140187533-A1 BENZIMIDAZOLE INHIBITORS OF THE SODIUM CHANNEL ZALICUS PHARMACEUTICALS LTD. (CA) 2014-07-03 — — 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 (5 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-20150361032-A1 BENZIMIDAZOLE INHIBITORS OF THE SODIUM CHANNEL SCN1A, KCNJ11, KCNJ1 CACNA1B 17/4885CACNA1C 48/4885CACNA1G 49/4885
US-10351514-B2 Benzimidazole inhibitors of the sodium channel SCN1A, KCNJ11, KCNJ1 CACNA1B 25/4885CACNA1C 49/4885CACNA1G 38/4885
US-20180111894-A1 Benzimidazole Inhibitors of the Sodium Channel SCN1A, KCNJ11, KCNJ1 CACNA1B 25/4885CACNA1C 49/4885CACNA1G 38/4885
US-20170260130-A1 Benzimidazole Inhibitors of the Sodium Channel SCN1A, KCNJ11, KCNJ1 CACNA1B 17/4885CACNA1C 48/4885CACNA1G 49/4885
US-20140187533-A1 BENZIMIDAZOLE INHIBITORS OF THE SODIUM CHANNEL SCN1A, KCNJ11, KCNJ1 CACNA1B 22/4885CACNA1C 48/4885CACNA1G 42/4885

“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.

Send feedback