SCHEMBL67446

SCHEMBL67446

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

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 6/20 0.47
KCNH2 Q12809 2/20 0.47
BCHE P06276 2/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SCN9A Q15858 2/20 0.39
MME P08473 1/20 0.38
ACHE P22303 1/20 0.37
MMP13 P45452 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL66601 1.00 CACNA1B (0.47) CACNA1BKCNH2BCHEKMT2AL3MBTL1
SCHEMBL65643 1.00 CACNA1B (0.47) CACNA1BKCNH2BCHEKMT2AL3MBTL1
SCHEMBL67445 1.00 CACNA1B (0.47) CACNA1BKCNH2BCHEKMT2AL3MBTL1
SCHEMBL66970 1.00 CACNA1B (0.47) CACNA1BKCNH2BCHEKMT2AL3MBTL1
SCHEMBL66485 0.95 CACNA1B (0.46) CACNA1BKCNH2BCHEKMT2AL3MBTL1
SCHEMBL66543 0.92 CACNA1B (0.44) CACNA1BKCNH2SCN9A
SCHEMBL67072 0.92 CACNA1B (0.44) CACNA1BKCNH2SCN9A
SCHEMBL66055 0.91 CACNA1B (0.47) CACNA1BKCNH2BCHEKMT2AL3MBTL1
SCHEMBL64722 0.91 CACNA1B (0.47) CACNA1BKCNH2BCHEKMT2AL3MBTL1
SCHEMBL65707 0.91 CACNA1B (0.52) CACNA1BKCNH2KMT2AL3MBTL1SCN9A

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 5/4885KCNH2 24/4885BCHE 1530/4885
US-20110281870-A1 NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA[C]PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS CACNA1C, ORAI1, CACNA1S CACNA1B 5/4885KCNH2 24/4885BCHE 1530/4885

“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.