SCHEMBL65855

SCHEMBL65855

CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 8/20 0.60
CTSK P43235 5/20 0.47
MAPK1 P28482 1/20 0.47
KCNH2 Q12809 2/20 0.46
REN P00797 1/20 0.45
KLK7 P49862 1/20 0.44
KLK5 Q9Y337 1/20 0.44

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
SCHEMBL16497945 1.00 CACNA1B (0.60) CACNA1BCTSKMAPK1KCNH2REN
SCHEMBL2550336 0.89 CACNA1B (0.78) CACNA1BKCNH2
SCHEMBL66718 0.89 CACNA1B (0.78) CACNA1BKCNH2
SCHEMBL2846623 0.89 CACNA1B (0.78) CACNA1BKCNH2
SCHEMBL2847005 0.89 CACNA1B (0.78) CACNA1BKCNH2
SCHEMBL66460 0.89 CACNA1B (0.78) CACNA1BKCNH2
SCHEMBL66454 0.89 CACNA1B (0.78) CACNA1BKCNH2
SCHEMBL2844992 0.88 CACNA1B (0.64) CACNA1BCTSKKCNH2
SCHEMBL16497823 0.85 CACNA1B (0.75) CACNA1BCTSKKCNH2
SCHEMBL66457 0.85 CACNA1B (0.75) CACNA1BCTSKKCNH2

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 3 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 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 5/4885CTSK 2107/4885MAPK1 1472/4885
US-20110281870-A1 NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA[C]PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS CACNA1C, ORAI1, CACNA1S CACNA1B 5/4885CTSK 2107/4885MAPK1 1472/4885

“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.