SCHEMBL18761567

SCHEMBL18761567

CC(C)(CC(=O)N1CCNCC1)c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CACNA1H O95180 10/20 0.52
▸ CACNA1G O43497 4/20 0.37
▸ SCN7A Q01118 5/20 0.37
▸ KCNH2 Q12809 4/20 0.37
▸ GAA P10253 1/20 0.35
▸ SCN9A Q15858 4/20 0.35
▸ CACNA1B Q00975 4/20 0.35
▸ CACNA1C Q13936 3/20 0.35
▸ TRPV4 Q9HBA0 1/20 0.34
▸ CTSS P25774 1/20 0.33
▸ SCN5A Q14524 1/20 0.33
▸ SCN2A Q99250 1/20 0.33
▸ SCN8A Q9UQD0 1/20 0.33
▸ SCN10A Q9Y5Y9 1/20 0.33

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
SCHEMBL17437478 0.84 CACNA1H (0.68) CACNA1HCACNA1GCACNA1BCACNA1C
SCHEMBL15844374 0.81 CACNA1H (0.70) CACNA1HCACNA1GSCN7AKCNH2SCN9A
SCHEMBL18761295 0.79 CACNA1H (0.56) CACNA1HCACNA1GSCN7AKCNH2GAA
SCHEMBL18761555 0.78 CACNA1H (0.36) CACNA1HCACNA1GSCN9ACACNA1BCACNA1C
SCHEMBL15844332 0.74 CACNA1H (0.41) CACNA1HCACNA1GCACNA1BCACNA1CSCN10A
SCHEMBL18761600 0.73 CACNA1H (0.37) CACNA1HCACNA1GCACNA1BCACNA1C
SCHEMBL10284436 0.72 CACNA1H (0.40) CACNA1HCACNA1GCACNA1BCACNA1C
SCHEMBL20094224 0.72 CACNA1H (0.57) CACNA1HSCN7AKCNH2GAACTSS
SCHEMBL15844419 0.72 CACNA1H (0.54) CACNA1HCACNA1GSCN7AKCNH2
SCHEMBL15844077 0.71 CACNA1H (0.56) CACNA1HCACNA1GSCN7AKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10208023-B2 Heterocyclic inhibitors of the sodium channel DeGiacomo, Mark G. (US) 2019-02-19 — — US disclosed
US-20170107203-A1 HETEROCYCLIC INHIBITORS OF THE SODIUM CHANNEL EPIRUS BIOPHARMACEUTICALS, INC. (US) 2017-04-20 — — 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-10208023-B2 Heterocyclic inhibitors of the sodium channel SCN1B, TRPV1, SCN1A CACNA1H 32/4885CACNA1G 13/4885SCN7A 44/4885
US-20170107203-A1 HETEROCYCLIC INHIBITORS OF THE SODIUM CHANNEL SCN1B, SCN1A, CACNA1S CACNA1H 20/4885CACNA1G 7/4885SCN7A 47/4885

“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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