SCHEMBL17437595

SCHEMBL17437595

O=C(Cc1nc2c(C(F)(F)F)cc(C(F)(F)F)cc2[nH]1)NC1CCNCC1

nearest known ligand 0.65

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 18/20 0.65
CACNA1G O43497 8/20 0.65
CACNA1B Q00975 8/20 0.56
CACNA1C Q13936 6/20 0.56

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
SCHEMBL18761659 0.83 CACNA1H (0.44) CACNA1HCACNA1GCACNA1BCACNA1C
SCHEMBL15844368 0.79 CACNA1H (1.00) CACNA1HCACNA1GCACNA1BCACNA1C
SCHEMBL15844552 0.78 CACNA1H (1.00) CACNA1HCACNA1GCACNA1BCACNA1C
SCHEMBL1360362 0.78 CCR2 (0.52) CACNA1HCACNA1G
SCHEMBL17437367 0.78 CCNA2 (0.42) CACNA1HCACNA1G
Hydrochloric Acid SCHEMBL12495897 0.77 CACNA1H (0.98) CACNA1HCACNA1GCACNA1BCACNA1C
SCHEMBL17437406 0.74 CACNA1H (0.76) CACNA1HCACNA1GCACNA1BCACNA1C
SCHEMBL12495401 0.72 CACNA1H (0.76) CACNA1HCACNA1GCACNA1BCACNA1C
SCHEMBL17437401 0.72 CACNA1H (0.80) CACNA1HCACNA1GCACNA1BCACNA1C
SCHEMBL19353609 0.72 CACNA1H (0.76) 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 3 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
US-20160016939-A1 HETEROCYCLIC INHIBITORS OF THE SODIUM CHANNEL NATIONAL CENTER FOR ADDICTION STUDIES AND TREATMENT FOUNDATION 2016-01-21 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 (3 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 13/4885CACNA1B 9/4885
US-20160016939-A1 HETEROCYCLIC INHIBITORS OF THE SODIUM CHANNEL SCN1B, TRPV1, SCN1A CACNA1H 32/4885CACNA1G 13/4885CACNA1B 9/4885
US-20170107203-A1 HETEROCYCLIC INHIBITORS OF THE SODIUM CHANNEL SCN1B, SCN1A, CACNA1S CACNA1H 20/4885CACNA1G 7/4885CACNA1B 5/4885

“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.