SCHEMBL67074

SCHEMBL67074

CN(C(=O)OC(C)(C)C)[C@@H](CC(C)(C)C)C(=O)N[C@H]1CC[C@@H]2CN(S(=O)(=O)c3ccc(C(F)(F)F)cc3)C[C@@H]21

nearest known ligand 0.70

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 17/20 0.70
GAA P10253 1/20 0.41
KCNH2 Q12809 2/20 0.39
HSD11B1 P28845 1/20 0.39

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
SCHEMBL66075 1.00 CACNA1B (0.70) CACNA1BGAAKCNH2HSD11B1
SCHEMBL65648 0.92 CACNA1B (0.67) CACNA1BGAAKCNH2HSD11B1
SCHEMBL67722 0.92 CACNA1B (0.67) CACNA1BGAAKCNH2HSD11B1
SCHEMBL67678 0.92 CACNA1B (0.67) CACNA1BGAAKCNH2
SCHEMBL67677 0.92 CACNA1B (0.67) CACNA1BGAAKCNH2
SCHEMBL65780 0.92 CACNA1B (0.67) CACNA1BGAAKCNH2HSD11B1
SCHEMBL67266 0.92 CACNA1B (0.67) CACNA1BGAAKCNH2
SCHEMBL67723 0.92 CACNA1B (0.67) CACNA1BGAAKCNH2HSD11B1
SCHEMBL66385 0.92 CACNA1B (0.67) CACNA1BGAAKCNH2
SCHEMBL65779 0.92 CACNA1B (0.67) CACNA1BGAAKCNH2HSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129417-B2 Substituted octahydrocyclopenta[C]pyrrol-4-amines as calcium channel blockers ABBOTT LABORATORIES (US) 2012-03-06 US claimed
US-8129417-B2 Substituted octahydrocyclopenta[C]pyrrol-4-amines as calcium channel blockers ABBOTT LABORATORIES (US) 2012-03-06 US disclosed
US-20110281870-A1 NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA[C]PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2011-11-17 US disclosed
US-20100130558-A1 NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA[C]PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2010-05-27 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-20100130558-A1 NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA[C]PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS CACNA1C, ORAI1, CACNA1S CACNA1B 5/4885GAA 2205/4885KCNH2 24/4885
US-20110281870-A1 NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA[C]PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS CACNA1C, ORAI1, CACNA1S CACNA1B 5/4885GAA 2205/4885KCNH2 24/4885

“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.