SCHEMBL1336119

SCHEMBL1336119

CN[C@@H](CC(C)C)C(=O)N[C@H]1CC[C@@H]2CN(c3ccccc3OC(F)(F)F)C[C@@H]21

nearest known ligand 0.72

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 17/20 0.72
SCN9A Q15858 2/20 0.39
CHRM4 P08173 1/20 0.38

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
SCHEMBL1336444 0.89 CACNA1B (0.61) CACNA1B
SCHEMBL1336123 0.88 CACNA1B (0.56) CACNA1BSCN9ACHRM4
SCHEMBL1334915 0.86 CACNA1B (0.71) CACNA1B
SCHEMBL1337325 0.85 CACNA1B (0.66) CACNA1B
SCHEMBL1337198 0.84 CACNA1B (0.65) CACNA1B
SCHEMBL1337234 0.84 CACNA1B (1.00) CACNA1BCHRM4
SCHEMBL1336994 0.84 CACNA1B (1.00) CACNA1BCHRM4
SCHEMBL1335029 0.84 CACNA1B (0.77) CACNA1BCHRM4
SCHEMBL1335119 0.84 CACNA1B (0.77) CACNA1B
SCHEMBL1335041 0.84 CACNA1B (0.77) CACNA1BCHRM4

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-20110281870-A1 NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA[C]PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2011-11-17 US claimed
US-20110281870-A1 NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA[C]PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2011-11-17 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-20110281870-A1 NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA[C]PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS CACNA1C, ORAI1, CACNA1S CACNA1B 5/4885SCN9A 241/4885CHRM4 213/4885

“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.