SCHEMBL19668462

SCHEMBL19668462

NC(COc1cc(C(F)(F)F)ccn1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 5/20 0.53
▸ CACNA1F O60840 1/20 0.53
▸ CACNA1D Q01668 1/20 0.53
▸ CACNA1S Q13698 1/20 0.53
▸ CACNA1C Q13936 1/20 0.53
▸ SCN4A P35499 10/20 0.47
▸ NOS3 P29474 1/20 0.41
▸ NOS2 P35228 1/20 0.41
▸ IDO1 P14902 1/20 0.40
▸ TDO2 P48775 1/20 0.40
▸ PNMT P11086 1/20 0.39
▸ AKT1 P31749 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
SCHEMBL19668708 0.78 SCN4A (0.53) TACR1SCN4A
SCHEMBL4990397 0.77 SCN4A (0.63) TACR1CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL19668463 0.77 SLC6A4 (0.46) CACNA1CNOS3NOS2IDO1TDO2
SCHEMBL19668648 0.77 TACR1 (0.67) TACR1CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL22474623 0.76 NOS3 (0.44) NOS3NOS2
SCHEMBL19668457 0.76 SCN4A (0.59) TACR1SCN4AAKT1
SCHEMBL19686722 0.75 SCN4A (0.55) TACR1CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL19686204 0.74 SCN4A (0.54) TACR1CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL19154982 0.71 NPC1 (0.56) NOS3NOS2
SCHEMBL19732851 0.71 NOS3 (0.50) NOS3NOS2IDO1PNMT

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 6 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

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-20190270696-A1 COMPOUNDS AS INHIBITORS OF SODIUM CHANNELS SCN1B, CACNA1E, SCN2B TACR1 174/4885CACNA1F 18/4885CACNA1D 10/4885
US-11492325-B2 Compounds as inhibitors of sodium channels SCN1B, CACNA1E, SCN2B TACR1 174/4885CACNA1F 18/4885CACNA1D 10/4885

“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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