SCHEMBL67194

SCHEMBL67194

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(=O)(=O)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 7/20 0.55
KCNH2 Q12809 2/20 0.48
KMT2A Q03164 1/20 0.40
SIGMAR1 Q99720 2/20 0.40
S1PR1 P21453 2/20 0.40
S1PR5 Q9H228 2/20 0.40
GAA P10253 2/20 0.40
HPGD P15428 1/20 0.40
GRK5 P34947 1/20 0.40
CDK8 P49336 1/20 0.40
FAAH O00519 1/20 0.39
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
UBE2M P61081 1/20 0.38
DCUN1D1 Q96GG9 1/20 0.38

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
SCHEMBL16497863 1.00 CACNA1B (0.55) CACNA1BKCNH2KMT2ASIGMAR1S1PR1
SCHEMBL66236 0.91 CACNA1B (0.60) CACNA1BKCNH2KMT2ASIGMAR1S1PR1
SCHEMBL67444 0.91 CACNA1B (0.60) CACNA1BKCNH2KMT2ASIGMAR1S1PR1
SCHEMBL66591 0.91 CACNA1B (0.60) CACNA1BKCNH2KMT2ASIGMAR1S1PR1
SCHEMBL66889 0.91 CACNA1B (0.60) CACNA1BKCNH2KMT2ASIGMAR1S1PR1
SCHEMBL16498087 0.91 CACNA1B (0.60) CACNA1BKCNH2KMT2ASIGMAR1S1PR1
SCHEMBL16497889 0.91 CACNA1B (0.60) CACNA1BKCNH2KMT2ASIGMAR1S1PR1
SCHEMBL66027 0.91 CACNA1B (0.60) CACNA1BKCNH2KMT2ASIGMAR1S1PR1
SCHEMBL68349 0.89 CACNA1B (0.56) CACNA1BKCNH2KMT2ASIGMAR1S1PR1
SCHEMBL65765 0.89 CACNA1B (0.56) CACNA1BKCNH2KMT2ASIGMAR1S1PR1

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 5 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-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 24/4885KMT2A 3363/4885
US-20110281870-A1 NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA[C]PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS CACNA1C, ORAI1, CACNA1S CACNA1B 5/4885KCNH2 24/4885KMT2A 3363/4885

“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.