SCHEMBL67239

SCHEMBL67239

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)c3cccc(C(F)(F)F)c3)C[C@H]21

nearest known ligand 0.70

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 17/20 0.70
KCNH2 Q12809 2/20 0.45
GAA P10253 1/20 0.44
HPGD P15428 1/20 0.44
RORC P51449 1/20 0.43

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
SCHEMBL66351 1.00 CACNA1B (0.70) CACNA1BKCNH2GAAHPGDRORC
SCHEMBL66662 0.93 CACNA1B (0.70) CACNA1BKCNH2GAAHPGDRORC
SCHEMBL67499 0.93 CACNA1B (0.80) CACNA1BKCNH2GAAHPGDRORC
SCHEMBL65828 0.93 CACNA1B (0.80) CACNA1BKCNH2GAAHPGDRORC
SCHEMBL66663 0.93 CACNA1B (0.70) CACNA1BKCNH2GAAHPGDRORC
SCHEMBL65829 0.93 CACNA1B (0.80) CACNA1BKCNH2GAAHPGDRORC
SCHEMBL16497731 0.93 CACNA1B (0.80) CACNA1BKCNH2GAAHPGDRORC
SCHEMBL67500 0.93 CACNA1B (0.80) CACNA1BKCNH2GAAHPGDRORC
SCHEMBL16497826 0.93 CACNA1B (0.80) CACNA1BKCNH2GAAHPGDRORC
SCHEMBL65527 0.91 CACNA1B (0.68) CACNA1BKCNH2GAAHPGDRORC

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 5/4885KCNH2 24/4885GAA 2205/4885
US-20110281870-A1 NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA[C]PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS CACNA1C, ORAI1, CACNA1S CACNA1B 5/4885KCNH2 24/4885GAA 2205/4885

“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.