SCHEMBL66591

SCHEMBL66591

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

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 7/20 0.60
KCNH2 Q12809 2/20 0.51
S1PR1 P21453 4/20 0.40
S1PR5 Q9H228 4/20 0.40
GRK5 P34947 1/20 0.40
CDK8 P49336 1/20 0.40
MEN1 O00255 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.39
EPHX1 P07099 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
MOGAT2 Q3SYC2 1/20 0.37
PDGFRA P16234 1/20 0.37
FAAH O00519 1/20 0.37

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
SCHEMBL67444 1.00 CACNA1B (0.60) CACNA1BKCNH2S1PR1S1PR5GRK5
SCHEMBL16497889 1.00 CACNA1B (0.60) CACNA1BKCNH2S1PR1S1PR5GRK5
SCHEMBL66889 1.00 CACNA1B (0.60) CACNA1BKCNH2S1PR1S1PR5GRK5
SCHEMBL16498087 1.00 CACNA1B (0.60) CACNA1BKCNH2S1PR1S1PR5GRK5
SCHEMBL66027 1.00 CACNA1B (0.60) CACNA1BKCNH2S1PR1S1PR5GRK5
SCHEMBL66236 0.93 CACNA1B (0.60) CACNA1BKCNH2S1PR1S1PR5GRK5
SCHEMBL66362 0.92 CACNA1B (0.56) CACNA1BKCNH2S1PR1S1PR5GRK5
SCHEMBL68349 0.92 CACNA1B (0.56) CACNA1BKCNH2S1PR1S1PR5GRK5
SCHEMBL65765 0.92 CACNA1B (0.56) CACNA1BKCNH2S1PR1S1PR5GRK5
SCHEMBL67194 0.91 CACNA1B (0.55) CACNA1BKCNH2S1PR1S1PR5GRK5

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 24/4885S1PR1 371/4885
US-20110281870-A1 NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA[C]PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS CACNA1C, ORAI1, CACNA1S CACNA1B 5/4885KCNH2 24/4885S1PR1 371/4885

“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.