SCHEMBL65373

SCHEMBL65373

CC(C)(C)OC(=O)N[C@H]1CC[C@@H]2CN(S(=O)(=O)c3ccc(C(F)(F)F)cc3Cl)C[C@@H]21

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 13/20 0.52
HCRTR1 O43613 1/20 0.43
HCRTR2 O43614 1/20 0.43
TRPV4 Q9HBA0 2/20 0.42
SLC6A9 P48067 3/20 0.42
EPHX2 P34913 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
SCHEMBL65565 0.84 CACNA1B (0.49) CACNA1BHCRTR1HCRTR2TRPV4
SCHEMBL66419 0.84 CACNA1B (0.68) CACNA1B
SCHEMBL67629 0.82 CACNA1B (0.54) CACNA1BHCRTR1HCRTR2
SCHEMBL67623 0.82 CACNA1B (0.50) CACNA1BHCRTR1HCRTR2TRPV4
SCHEMBL67995 0.82 CACNA1B (0.49) CACNA1BHCRTR1HCRTR2TRPV4
SCHEMBL66930 0.81 CACNA1B (0.77) CACNA1BTRPV4
SCHEMBL67081 0.81 CACNA1B (0.77) CACNA1B
SCHEMBL65455 0.81 CACNA1B (0.75) CACNA1B
SCHEMBL66919 0.80 CACNA1B (0.78) CACNA1BHCRTR1HCRTR2
SCHEMBL66929 0.79 CACNA1B (0.57) CACNA1BHCRTR1HCRTR2TRPV4

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
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 5/4885HCRTR1 268/4885HCRTR2 271/4885
US-20110281870-A1 NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA[C]PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS CACNA1C, ORAI1, CACNA1S CACNA1B 5/4885HCRTR1 268/4885HCRTR2 271/4885

“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.