SCHEMBL67573

SCHEMBL67573

CN[C@@H](CC(C)C)C(=O)N(C(=O)OC(C)(C)C)[C@@H]1CC[C@H]2CN(Cc3cccc(C(F)(F)F)c3)C[C@H]21

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 11/20 0.66
KCNH2 Q12809 2/20 0.48
UBE2M P61081 1/20 0.39
DCUN1D1 Q96GG9 1/20 0.39
CACNA1G O43497 1/20 0.39
S1PR1 P21453 2/20 0.38
S1PR5 Q9H228 2/20 0.38
SIGMAR1 Q99720 1/20 0.38
TEAD1 P28347 2/20 0.38
GRK5 P34947 1/20 0.38
CDK8 P49336 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
SCHEMBL64831 1.00 CACNA1B (0.66) CACNA1BKCNH2UBE2MDCUN1D1CACNA1G
SCHEMBL67883 1.00 CACNA1B (0.66) CACNA1BKCNH2UBE2MDCUN1D1CACNA1G
SCHEMBL66783 1.00 CACNA1B (0.66) CACNA1BKCNH2UBE2MDCUN1D1CACNA1G
SCHEMBL16497767 0.91 CACNA1B (0.68) CACNA1BKCNH2UBE2MDCUN1D1CACNA1G
SCHEMBL65700 0.91 CACNA1B (0.68) CACNA1BKCNH2UBE2MDCUN1D1CACNA1G
SCHEMBL66644 0.90 CACNA1B (0.54) CACNA1BKCNH2S1PR1S1PR5TEAD1
SCHEMBL66461 0.90 CACNA1B (0.54) CACNA1BKCNH2S1PR1S1PR5TEAD1
SCHEMBL16498050 0.90 CACNA1B (0.54) CACNA1BKCNH2S1PR1S1PR5TEAD1
SCHEMBL66719 0.90 CACNA1B (0.54) CACNA1BKCNH2S1PR1S1PR5TEAD1
SCHEMBL66455 0.90 CACNA1B (0.54) CACNA1BKCNH2S1PR1S1PR5TEAD1

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 6 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-20110281870-A1 NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA[C]PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2011-11-17 US claimed
US-20100130558-A1 NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA[C]PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2010-05-27 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 24/4885UBE2M 4684/4885
US-20110281870-A1 NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA[C]PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS CACNA1C, ORAI1, CACNA1S CACNA1B 5/4885KCNH2 24/4885UBE2M 4684/4885

“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.