SCHEMBL66956

SCHEMBL66956

CC(C)C(C(=O)N[C@H]1CC[C@@H]2CN(CCCc3cccc(C(F)(F)F)c3)C[C@@H]21)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 15/20 0.58
KCNH2 Q12809 2/20 0.56
UBE2M P61081 1/20 0.43
DCUN1D1 Q96GG9 1/20 0.43
SCN9A Q15858 2/20 0.40

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
SCHEMBL16498047 1.00 CACNA1B (0.58) CACNA1BKCNH2UBE2MDCUN1D1SCN9A
SCHEMBL66009 0.91 CACNA1B (0.50) CACNA1BKCNH2
SCHEMBL16498037 0.91 CACNA1B (0.50) CACNA1BKCNH2
SCHEMBL65645 0.90 CACNA1B (0.71) CACNA1BKCNH2UBE2MDCUN1D1SCN9A
SCHEMBL67412 0.90 CACNA1B (0.71) CACNA1BKCNH2UBE2MDCUN1D1SCN9A
SCHEMBL67511 0.90 CACNA1B (0.71) CACNA1BKCNH2UBE2MDCUN1D1SCN9A
SCHEMBL67413 0.90 CACNA1B (0.71) CACNA1BKCNH2UBE2MDCUN1D1SCN9A
SCHEMBL65706 0.89 CACNA1B (0.44) CACNA1BKCNH2
SCHEMBL16497901 0.89 CACNA1B (0.43) CACNA1BKCNH2
SCHEMBL67284 0.89 CACNA1B (0.43) CACNA1BKCNH2

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.