SCHEMBL18761604

SCHEMBL18761604

O=C1CNCCN1CCCc1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CACNA1H O95180 10/20 0.38
▸ SCN9A Q15858 1/20 0.36
▸ PARP1 P09874 3/20 0.35
▸ CACNA1G O43497 2/20 0.33
▸ CACNA1B Q00975 2/20 0.32
▸ CACNA1C Q13936 2/20 0.32
▸ PARP2 Q9UGN5 1/20 0.31

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
SCHEMBL15843964 0.94 CACNA1H (0.39) CACNA1HSCN9APARP1CACNA1GCACNA1B
SCHEMBL15844295 0.88 CACNA1H (0.44) CACNA1HSCN9ACACNA1GCACNA1BCACNA1C
Hydrochloric Acid SCHEMBL12495599 0.87 CACNA1H (0.44) CACNA1HSCN9ACACNA1GCACNA1BCACNA1C
SCHEMBL17437598 0.84 CACNA1H (0.56) CACNA1HCACNA1GCACNA1BCACNA1C
SCHEMBL20088420 0.83 CACNA1H (0.38) CACNA1HSCN9A
SCHEMBL18761555 0.79 CACNA1H (0.36) CACNA1HSCN9ACACNA1GCACNA1BCACNA1C
SCHEMBL12496310 0.78 CACNA1H (0.58) CACNA1HCACNA1GCACNA1BCACNA1C
Hydrochloric Acid SCHEMBL12495757 0.77 CACNA1H (0.57) CACNA1HCACNA1GCACNA1BCACNA1C
SCHEMBL20088416 0.76 CACNA1H (0.46) CACNA1HSCN9ACACNA1GCACNA1C
SCHEMBL18761600 0.74 CACNA1H (0.37) CACNA1HCACNA1GCACNA1BCACNA1C

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 32/4885SCN9A 29/4885PARP1 3132/4885
US-20170107203-A1 HETEROCYCLIC INHIBITORS OF THE SODIUM CHANNEL SCN1B, SCN1A, CACNA1S CACNA1H 20/4885SCN9A 28/4885PARP1 2901/4885

“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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