SCHEMBL65719

SCHEMBL65719

CCC[C@@H](C(=O)N[C@H]1CC[C@@H]2CN(S(=O)(=O)c3ccc(C(F)(F)F)cc3)C[C@@H]21)N(C(=O)O)C(C)C

nearest known ligand 0.72

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 17/20 0.72
TRPV4 Q9HBA0 2/20 0.43
GAA P10253 1/20 0.41

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
SCHEMBL65295 0.91 CACNA1B (0.72) CACNA1BTRPV4GAA
SCHEMBL16497942 0.91 CACNA1B (0.72) CACNA1BTRPV4GAA
SCHEMBL16497943 0.91 CACNA1B (0.72) CACNA1BTRPV4GAA
SCHEMBL65294 0.91 CACNA1B (0.72) CACNA1BTRPV4GAA
SCHEMBL66224 0.90 CACNA1B (0.76) CACNA1BTRPV4GAA
SCHEMBL68197 0.90 CACNA1B (0.70) CACNA1BTRPV4GAA
SCHEMBL67402 0.90 CACNA1B (0.70) CACNA1BTRPV4GAA
SCHEMBL67401 0.90 CACNA1B (0.70) CACNA1BTRPV4GAA
SCHEMBL68198 0.90 CACNA1B (0.70) CACNA1BTRPV4GAA
SCHEMBL67848 0.86 CACNA1B (0.72) CACNA1BGAA

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-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
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 5/4885TRPV4 30/4885GAA 2205/4885
US-20110281870-A1 NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA[C]PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS CACNA1C, ORAI1, CACNA1S CACNA1B 5/4885TRPV4 30/4885GAA 2205/4885

“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.