SCHEMBL66688

SCHEMBL66688

CS(=O)(=O)N1CCCC[C@H]1C(=O)N[C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCR4 P51679 4/20 0.49
CACNA1B Q00975 3/20 0.49
KCNH2 Q12809 2/20 0.49
ALDH1A1 P00352 2/20 0.43
TSHR P16473 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
FKBP1A P62942 3/20 0.42
HTT P42858 1/20 0.41

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
SCHEMBL2425444 0.85 KCNH2 (0.47) CCR4CACNA1BKCNH2KMT2AFKBP1A
SCHEMBL66703 0.81 NPC1 (0.45) CACNA1BKCNH2ALDH1A1MEN1KMT2A
SCHEMBL67908 0.80 KCNH2 (0.53) CACNA1BKCNH2ALDH1A1KMT2A
SCHEMBL16497959 0.80 KCNH2 (0.53) CACNA1BKCNH2ALDH1A1KMT2A
SCHEMBL16497937 0.80 KCNH2 (0.53) CACNA1BKCNH2ALDH1A1KMT2A
SCHEMBL16497761 0.78 CACNA1B (0.51) CACNA1BKCNH2KMT2A
SCHEMBL2421730 0.78 CACNA1B (0.51) CACNA1BKCNH2KMT2A
SCHEMBL2420238 0.78 CACNA1B (0.51) CACNA1BKCNH2KMT2A
SCHEMBL16498153 0.77 KCNH2 (0.43) CACNA1BKCNH2ALDH1A1KMT2A
SCHEMBL1337347 0.77 KCNH2 (0.43) CACNA1BKCNH2ALDH1A1KMT2A

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 CCR4 3266/4885CACNA1B 5/4885KCNH2 24/4885
US-20110281870-A1 NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA[C]PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS CACNA1C, ORAI1, CACNA1S CCR4 3266/4885CACNA1B 5/4885KCNH2 24/4885

“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.