SCHEMBL18761600

SCHEMBL18761600

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

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CACNA1H O95180 11/20 0.37
▸ CACNA1G O43497 4/20 0.32
▸ CACNA1C Q13936 5/20 0.32
▸ CACNA1B Q00975 5/20 0.31
▸ ADRB1 P08588 1/20 0.31
▸ NPY5R Q15761 1/20 0.30

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
SCHEMBL18761555 0.83 CACNA1H (0.36) CACNA1HCACNA1GCACNA1CCACNA1B
SCHEMBL17437508 0.83 CACNA1H (0.51) CACNA1HCACNA1GCACNA1CCACNA1B
SCHEMBL18761631 0.79 HRH4 (0.31) —
SCHEMBL15844295 0.77 CACNA1H (0.44) CACNA1HCACNA1GCACNA1CCACNA1BADRB1
Hydrochloric Acid SCHEMBL12495599 0.77 CACNA1H (0.44) CACNA1HCACNA1GCACNA1CCACNA1BADRB1
SCHEMBL15843964 0.76 CACNA1H (0.39) CACNA1HCACNA1GCACNA1CCACNA1BADRB1
SCHEMBL18761604 0.74 CACNA1H (0.38) CACNA1HCACNA1GCACNA1CCACNA1B
SCHEMBL10284436 0.73 CACNA1H (0.40) CACNA1HCACNA1GCACNA1CCACNA1B
SCHEMBL18761567 0.73 CACNA1H (0.52) CACNA1HCACNA1GCACNA1CCACNA1B
SCHEMBL15843992 0.71 CACNA1H (0.44) CACNA1HCACNA1GCACNA1CCACNA1B

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 13/4885CACNA1C 14/4885
US-20170107203-A1 HETEROCYCLIC INHIBITORS OF THE SODIUM CHANNEL SCN1B, SCN1A, CACNA1S CACNA1H 20/4885CACNA1G 7/4885CACNA1C 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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