SCHEMBL4990397

SCHEMBL4990397

NC(COc1cccc(C(F)(F)F)c1)c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SCN4A P35499 6/20 0.63
▸ TACR1 P25103 3/20 0.56
▸ CACNA1F O60840 1/20 0.56
▸ CACNA1D Q01668 1/20 0.56
▸ CACNA1S Q13698 1/20 0.56
▸ CACNA1C Q13936 1/20 0.56
▸ IDO1 P14902 1/20 0.49
▸ TDO2 P48775 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ MAOB P27338 1/20 0.47
▸ AOC3 Q16853 1/20 0.47
▸ PPARG P37231 1/20 0.46
▸ PPARA Q07869 1/20 0.46

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
SCHEMBL19668648 0.88 TACR1 (0.67) SCN4ATACR1CACNA1FCACNA1DCACNA1S
SCHEMBL19686204 0.82 SCN4A (0.54) SCN4ATACR1CACNA1FCACNA1DCACNA1S
Phosphoric Acid SCHEMBL11418491 0.80 KDM4E (0.50) TACR1L3MBTL1KDM4EMAOBAOC3
SCHEMBL9988187 0.80 HTR2A (0.57) SCN4ACACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL4345367 0.79 SCN4A (1.00) SCN4ATACR1
SCHEMBL12847267 0.79 SCN4A (1.00) SCN4ATACR1
SCHEMBL28303221 0.78 L3MBTL1 (0.51) L3MBTL1KDM4EMAOBAOC3
SCHEMBL16168405 0.78 KDM4E (0.49) L3MBTL1KDM4EMAOBAOC3
SCHEMBL19686722 0.77 SCN4A (0.55) SCN4ATACR1CACNA1FCACNA1DCACNA1S
SCHEMBL19668462 0.77 TACR1 (0.53) SCN4ATACR1CACNA1FCACNA1DCACNA1S

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-11492325-B2 Compounds as inhibitors of sodium channels HUMAN BIOMOLECULAR RESEARCH INSTITUTE (US) 2022-11-08 — — US disclosed
US-20190270696-A1 COMPOUNDS AS INHIBITORS OF SODIUM CHANNELS HUMAN BIOMOLECULAR RESEARCH INSTITUTE (US) 2019-09-05 — — US disclosed
US-20190270696-A1 COMPOUNDS AS INHIBITORS OF SODIUM CHANNELS HUMAN BIOMOLECULAR RESEARCH INSTITUTE (US) 2019-09-05 — — US disclosed
EP-3494105-A2 COMPOUNDS AS INHIBITORS OF SODIUM CHANNELS Human Biomolecular Research Institute (US) 2019-06-12 — — EP disclosed
WO-2017210371-A2 COMPOUNDS AS INHIBITORS OF SODIUM CHANNELS HUMAN BIOMOLECULAR RESEARCH INSTITUTE (US) 2017-12-07 — — WO disclosed
WO-2017210371-A2 COMPOUNDS AS INHIBITORS OF SODIUM CHANNELS HUMAN BIOMOLECULAR RESEARCH INSTITUTE (US) 2017-12-07 — — WO disclosed
US-7393958-B2 Triamide-substituted heterobicyclic compounds PFIZER, INC. (US) 2008-07-01 — — US disclosed
US-7368573-B2 Triamide-substituted heterobicyclic compounds PFIZER INC. (US) 2008-05-06 — — US disclosed
US-20070093525-A1 Triamide-substituted heterobicyclic compounds PFIZER INC 2007-04-26 — — US disclosed
US-20060223851-A1 TRIAMIDE-SUBSTITUTED HETEROBICYCLIC COMPOUNDS BERTINATO PETER 2006-10-05 — — 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 (4 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-20190270696-A1 COMPOUNDS AS INHIBITORS OF SODIUM CHANNELS SCN1B, CACNA1E, SCN2B SCN4A 48/4885TACR1 174/4885CACNA1F 18/4885
US-20060223851-A1 TRIAMIDE-SUBSTITUTED HETEROBICYCLIC COMPOUNDS APOB, MTPN, CTRB1 SCN4A 3286/4885TACR1 814/4885CACNA1F 4631/4885
US-20070093525-A1 Triamide-substituted heterobicyclic compounds APOB, MTPN, CTRB1 SCN4A 3286/4885TACR1 814/4885CACNA1F 4631/4885
US-11492325-B2 Compounds as inhibitors of sodium channels SCN1B, CACNA1E, SCN2B SCN4A 48/4885TACR1 174/4885CACNA1F 18/4885

“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.

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