SCHEMBL65712

SCHEMBL65712

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

nearest known ligand 0.73

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 10/20 0.73
KCNH2 Q12809 2/20 0.51
MOGAT2 Q3SYC2 1/20 0.41
SIGMAR1 Q99720 1/20 0.39
S1PR1 P21453 1/20 0.38
GRK5 P34947 1/20 0.38
CDK8 P49336 1/20 0.38
S1PR5 Q9H228 1/20 0.38
UBE2M P61081 1/20 0.38
DCUN1D1 Q96GG9 1/20 0.38
MEN1 O00255 1/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.38
CACNA1G O43497 1/20 0.38
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
SCHEMBL66556 1.00 CACNA1B (0.73) CACNA1BKCNH2MOGAT2SIGMAR1S1PR1
SCHEMBL66232 0.90 CACNA1B (0.71) CACNA1BKCNH2SIGMAR1S1PR1GRK5
SCHEMBL64772 0.85 CACNA1B (0.59) CACNA1BKCNH2SIGMAR1S1PR1GRK5
SCHEMBL67789 0.85 CACNA1B (0.59) CACNA1BKCNH2SIGMAR1S1PR1GRK5
SCHEMBL16497976 0.85 CACNA1B (0.59) CACNA1BKCNH2SIGMAR1S1PR1GRK5
SCHEMBL66450 0.85 CACNA1B (0.59) CACNA1BKCNH2SIGMAR1S1PR1GRK5
SCHEMBL66760 0.85 CACNA1B (0.59) CACNA1BKCNH2SIGMAR1S1PR1GRK5
SCHEMBL66671 0.85 CACNA1B (0.59) CACNA1BKCNH2SIGMAR1S1PR1GRK5
SCHEMBL66590 0.84 CACNA1B (1.00) CACNA1BKCNH2
SCHEMBL67443 0.84 CACNA1B (1.00) 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 24/4885MOGAT2 2288/4885
US-20110281870-A1 NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA[C]PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS CACNA1C, ORAI1, CACNA1S CACNA1B 5/4885KCNH2 24/4885MOGAT2 2288/4885

“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.