SCHEMBL68398

SCHEMBL68398

CC(C)[C@H](N[C@H]1CC[C@@H]2CN(Cc3ccc(C(F)(F)F)cc3)C[C@@H]21)C(N)=O

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 15/20 0.49
KCNH2 Q12809 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.43
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TEAD1 P28347 1/20 0.40
PHGDH O43175 1/20 0.40

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
SCHEMBL2418519 0.87 CACNA1B (0.59) CACNA1BKCNH2L3MBTL1
SCHEMBL68318 0.87 CACNA1B (0.59) CACNA1BKCNH2L3MBTL1
SCHEMBL67295 0.85 CACNA1B (0.51) CACNA1BKCNH2L3MBTL1KDM4EALDH1A1
SCHEMBL66476 0.83 CACNA1B (0.62) CACNA1BKCNH2
SCHEMBL68399 0.83 CACNA1B (0.59) CACNA1BKCNH2
SCHEMBL2423819 0.81 CACNA1B (0.68) CACNA1B
SCHEMBL67943 0.80 CACNA1B (0.67) CACNA1BKCNH2TEAD1
SCHEMBL2418520 0.79 CACNA1B (0.63) CACNA1BKCNH2
SCHEMBL68319 0.79 CACNA1B (0.63) CACNA1BKCNH2
SCHEMBL66791 0.78 CACNA1B (0.53) 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 3 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20110281870-A1 NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA[C]PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS CACNA1C, ORAI1, CACNA1S CACNA1B 5/4885KCNH2 24/4885L3MBTL1 2543/4885

“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.