SCHEMBL66912

SCHEMBL66912

O=S(=O)(c1cccc(C(F)(F)F)c1)N1C[C@H]2CC[C@H](NCc3ccc(F)cc3)[C@H]2C1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 13/20 0.59
GAA P10253 1/20 0.45
HPGD P15428 1/20 0.45
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.43
MAPT P10636 1/20 0.42
XBP1 P17861 1/20 0.42
HTT P42858 1/20 0.42
PKM P14618 1/20 0.41
PKLR P30613 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
SCHEMBL16498033 1.00 CACNA1B (0.59) CACNA1BGAAHPGDLMNATP53
SCHEMBL67936 1.00 CACNA1B (0.59) CACNA1BGAAHPGDLMNATP53
SCHEMBL1336450 0.83 CACNA1B (0.52) CACNA1BGAAHPGDTP53HTT
SCHEMBL16498004 0.83 CACNA1B (0.64) CACNA1BGAAHPGDHTTPKM
SCHEMBL67290 0.83 CACNA1B (0.64) CACNA1BGAAHPGDHTTPKM
SCHEMBL3243304 0.83 CACNA1B (0.64) CACNA1BGAAHPGDHTTPKM
SCHEMBL2454518 0.83 CACNA1B (0.64) CACNA1BGAAHPGDHTTPKM
SCHEMBL66447 0.83 CACNA1B (0.64) CACNA1BGAAHPGDHTTPKM
SCHEMBL67175 0.79 CACNA1B (0.58) CACNA1BGAA
SCHEMBL2422009 0.79 CACNA1B (0.72) CACNA1BLMNAHTT

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 5/4885GAA 2205/4885HPGD 1353/4885
US-20110281870-A1 NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA[C]PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS CACNA1C, ORAI1, CACNA1S CACNA1B 5/4885GAA 2205/4885HPGD 1353/4885

“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.