SCHEMBL18761660

SCHEMBL18761660

CN(Cc1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2n1C)C(=O)CNC(C)(C)C

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CACNA1H O95180 8/20 0.57
▸ CACNA1B Q00975 7/20 0.57
▸ CACNA1C Q13936 6/20 0.57
▸ CACNA1G O43497 4/20 0.57
▸ ALDH1A1 P00352 1/20 0.34
▸ RORC P51449 2/20 0.34
▸ TACR1 P25103 3/20 0.32
▸ ACKR3 P25106 2/20 0.32
▸ POLQ O75417 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
SCHEMBL15844410 0.78 CACNA1H (0.73) CACNA1HCACNA1BCACNA1CCACNA1GALDH1A1
SCHEMBL17437477 0.73 CACNA1H (1.00) CACNA1HCACNA1BCACNA1CCACNA1G
SCHEMBL20088386 0.67 CACNA1H (0.61) CACNA1HCACNA1BCACNA1CCACNA1G
SCHEMBL15844326 0.67 CACNA1H (0.72) CACNA1HCACNA1BCACNA1CCACNA1GALDH1A1
SCHEMBL15844216 0.62 CACNA1H (0.71) CACNA1HCACNA1BCACNA1CCACNA1G
SCHEMBL19868013 0.61 CSNK1D (0.64) —
SCHEMBL19868016 0.60 CSNK1D (0.53) CACNA1HCACNA1BCACNA1CCACNA1G
SCHEMBL15844641 0.59 CACNA1H (0.53) CACNA1HCACNA1BCACNA1CCACNA1GALDH1A1
SCHEMBL15844285 0.59 CACNA1H (0.53) CACNA1HCACNA1BCACNA1CCACNA1GALDH1A1
SCHEMBL15844307 0.59 CACNA1H (0.52) CACNA1HCACNA1BCACNA1CCACNA1GALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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-20170107203-A1 HETEROCYCLIC INHIBITORS OF THE SODIUM CHANNEL SCN1B, SCN1A, CACNA1S CACNA1H 20/4885CACNA1B 5/4885CACNA1C 9/4885

“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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