SCHEMBL67897

SCHEMBL67897

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

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 3/20 0.56
KCNH2 Q12809 2/20 0.56
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 1/20 0.52
GAA P10253 1/20 0.52
S1PR5 Q9H228 5/20 0.50
S1PR1 P21453 4/20 0.50
GRK5 P34947 1/20 0.50
CDK8 P49336 1/20 0.50
TEAD1 P28347 3/20 0.49
LMNA P02545 1/20 0.48
PDGFRA P16234 1/20 0.46
SIGMAR1 Q99720 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
FAAH O00519 1/20 0.43
TACR1 P25103 1/20 0.43

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
SCHEMBL2844748 1.00 CACNA1B (0.56) CACNA1BKCNH2KDM4EALDH1A1GAA
SCHEMBL16497875 1.00 CACNA1B (0.56) CACNA1BKCNH2KDM4EALDH1A1GAA
SCHEMBL66190 1.00 CACNA1B (0.56) CACNA1BKCNH2KDM4EALDH1A1GAA
SCHEMBL66349 1.00 CACNA1B (0.56) CACNA1BKCNH2KDM4EALDH1A1GAA
SCHEMBL66726 1.00 CACNA1B (0.56) CACNA1BKCNH2KDM4EALDH1A1GAA
SCHEMBL2422158 1.00 CACNA1B (0.56) CACNA1BKCNH2KDM4EALDH1A1GAA
SCHEMBL16497838 1.00 CACNA1B (0.56) CACNA1BKCNH2KDM4EALDH1A1GAA
SCHEMBL16497769 1.00 CACNA1B (0.56) CACNA1BKCNH2KDM4EALDH1A1GAA
SCHEMBL16497969 1.00 CACNA1B (0.56) CACNA1BKCNH2KDM4EALDH1A1GAA
SCHEMBL2844167 0.82 CACNA1B (0.53) CACNA1BKCNH2KDM4EALDH1A1GAA

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 disclosed
WO-2011149995-A1 NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA [C]PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2011-12-01 WO disclosed
US-20110281870-A1 NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA[C]PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2011-11-17 US disclosed
EP-2367790-A2 SUBSTITUTED OCTAHYDROCYCLOPENTA(C)PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS Abbott Laboratories (US) 2011-09-28 EP disclosed
WO-2010062927-A2 NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA(C)PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2010-06-03 WO 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 24/4885KDM4E 2451/4885
US-20110281870-A1 NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA[C]PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS CACNA1C, ORAI1, CACNA1S CACNA1B 5/4885KCNH2 24/4885KDM4E 2451/4885

“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.