SCHEMBL1335006

SCHEMBL1335006

CN[C@@H](CC(C)C)C(=O)N[C@H]1CC[C@@H]2CN(c3cccc(C)c3)C[C@@H]21

nearest known ligand 0.77

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 16/20 0.77
CAPN1 P07384 1/20 0.43
NOTUM Q6P988 1/20 0.39
ACACB O00763 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
SCHEMBL1334984 0.90 CACNA1B (0.77) CACNA1BACACB
SCHEMBL1337033 0.90 CACNA1B (0.79) CACNA1B
SCHEMBL1336607 0.89 CACNA1B (0.77) CACNA1BACACB
SCHEMBL1337130 0.89 CACNA1B (0.75) CACNA1BCAPN1
SCHEMBL1337164 0.88 CACNA1B (0.79) CACNA1BCAPN1
SCHEMBL1337351 0.87 CACNA1B (0.72) CACNA1BCAPN1NOTUM
SCHEMBL1337148 0.87 CACNA1B (1.00) CACNA1B
SCHEMBL1335008 0.86 CACNA1B (0.59) CACNA1BCAPN1NOTUMACACB
SCHEMBL1337073 0.86 CACNA1B (0.82) CACNA1BNOTUMACACB
SCHEMBL1336661 0.85 CACNA1B (0.77) CACNA1B

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 5/4885CAPN1 397/4885NOTUM 3350/4885

“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.