SCHEMBL65374

SCHEMBL65374

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

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 12/20 0.43
HCRTR1 O43613 1/20 0.42
HCRTR2 O43614 1/20 0.42
CACNA1B Q00975 5/20 0.41
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
KMT2A Q03164 1/20 0.39
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL66420 0.83 CACNA1B (0.55) CACNA1BKMT2AL3MBTL1
SCHEMBL65932 0.83 TRPV4 (0.45) TRPV4HCRTR1HCRTR2CACNA1BMEN1
SCHEMBL67080 0.79 CACNA1B (0.46) TRPV4HCRTR1HCRTR2CACNA1B
SCHEMBL65454 0.79 CACNA1B (0.42) TRPV4HCRTR1HCRTR2CACNA1B
SCHEMBL67118 0.79 CACNA1B (0.41) TRPV4HCRTR1HCRTR2CACNA1B
SCHEMBL2454255 0.78 TRPV4 (0.47) TRPV4HCRTR1HCRTR2CACNA1BMEN1
SCHEMBL65327 0.78 TRPV4 (0.47) TRPV4HCRTR1HCRTR2CACNA1BMEN1
SCHEMBL2454259 0.78 TRPV4 (0.47) TRPV4HCRTR1HCRTR2CACNA1BMEN1
SCHEMBL2458246 0.78 TRPV4 (0.47) TRPV4HCRTR1HCRTR2CACNA1BMEN1
SCHEMBL2420763 0.78 TRPV4 (0.47) TRPV4HCRTR1HCRTR2CACNA1BMEN1

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 TRPV4 30/4885HCRTR1 268/4885HCRTR2 271/4885
US-20110281870-A1 NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA[C]PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS CACNA1C, ORAI1, CACNA1S TRPV4 30/4885HCRTR1 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.