SCHEMBL66098

SCHEMBL66098

CN([C@@H](Cc1ccccc1)C(N)=O)[C@H]1CC[C@@H]2CN(S(=O)(=O)c3ccc(C(F)(F)F)cc3Cl)C[C@@H]21

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 12/20 0.45
TRPV4 Q9HBA0 5/20 0.39
RAB9A P51151 1/20 0.38
MCL1 Q07820 1/20 0.37
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36

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
SCHEMBL67080 0.89 CACNA1B (0.46) CACNA1BTRPV4HCRTR1HCRTR2
SCHEMBL65454 0.89 CACNA1B (0.42) CACNA1BTRPV4HCRTR1HCRTR2
SCHEMBL65666 0.87 CACNA1B (0.59) CACNA1BTRPV4
SCHEMBL66412 0.87 CACNA1B (0.44) CACNA1BTRPV4RAB9AHCRTR1HCRTR2
SCHEMBL67384 0.86 CACNA1B (0.56) CACNA1B
SCHEMBL66097 0.86 CACNA1B (0.45) CACNA1BTRPV4RAB9AHCRTR1HCRTR2
SCHEMBL67419 0.82 MEN1 (0.43) CACNA1BHCRTR1HCRTR2
SCHEMBL65374 0.78 TRPV4 (0.43) CACNA1BTRPV4HCRTR1HCRTR2
SCHEMBL67422 0.78 EPHX2 (0.40) CACNA1BTRPV4RAB9A
SCHEMBL65932 0.77 TRPV4 (0.45) CACNA1BTRPV4HCRTR1HCRTR2

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-20100130558-A1 NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA[C]PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2010-05-27 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 5/4885TRPV4 30/4885RAB9A 2076/4885
US-20110281870-A1 NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA[C]PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS CACNA1C, ORAI1, CACNA1S CACNA1B 5/4885TRPV4 30/4885RAB9A 2076/4885

“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.