SCHEMBL65966

SCHEMBL65966

CC(Cc1ccccc1)C(=O)N[C@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]21

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 4/20 0.55
KCNH2 Q12809 2/20 0.52
ALDH1A1 P00352 1/20 0.44
HTR4 Q13639 1/20 0.44
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
CYP3A4 P08684 1/20 0.42
TSHR P16473 1/20 0.42
SCN9A Q15858 2/20 0.42

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
SCHEMBL16498070 1.00 CACNA1B (0.55) CACNA1BKCNH2ALDH1A1HTR4MEN1
SCHEMBL16497717 1.00 CACNA1B (0.55) CACNA1BKCNH2ALDH1A1HTR4MEN1
SCHEMBL66661 1.00 CACNA1B (0.55) CACNA1BKCNH2ALDH1A1HTR4MEN1
SCHEMBL65947 0.89 CACNA1B (0.55) CACNA1BKCNH2ALDH1A1HTR4SCN9A
SCHEMBL16497759 0.89 CACNA1B (0.55) CACNA1BKCNH2ALDH1A1HTR4SCN9A
SCHEMBL3235692 0.89 CACNA1B (0.55) CACNA1BKCNH2ALDH1A1HTR4SCN9A
SCHEMBL64928 0.89 CACNA1B (0.55) CACNA1BKCNH2ALDH1A1HTR4SCN9A
SCHEMBL16497760 0.89 CACNA1B (0.55) CACNA1BKCNH2ALDH1A1HTR4SCN9A
SCHEMBL2420893 0.88 CACNA1B (0.54) CACNA1BKCNH2ALDH1A1HTR4
SCHEMBL66863 0.88 CACNA1B (0.54) CACNA1BKCNH2ALDH1A1HTR4

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 24/4885ALDH1A1 556/4885
US-20110281870-A1 NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA[C]PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS CACNA1C, ORAI1, CACNA1S CACNA1B 5/4885KCNH2 24/4885ALDH1A1 556/4885

“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.