SCHEMBL83745

SCHEMBL83745

O=S(=O)(c1ccc(C(F)(F)F)cc1)N1C[C@H]2CC[C@H](NC3CC3)[C@H]2C1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 13/20 0.61
GAA P10253 1/20 0.46
EPHX2 P34913 2/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ALDH1A1 P00352 1/20 0.42
PSEN1 P49768 1/20 0.41
PSEN2 P49810 1/20 0.41
APH1B Q8WW43 1/20 0.41
NCSTN Q92542 1/20 0.41
APH1A Q96BI3 1/20 0.41
PSENEN Q9NZ42 1/20 0.41
CCR6 P51684 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
SCHEMBL2457839 1.00 CACNA1B (0.61) CACNA1BGAAEPHX2MEN1KMT2A
SCHEMBL66307 0.86 CACNA1B (0.66) CACNA1BGAAMEN1KMT2AALDH1A1
SCHEMBL66019 0.84 CACNA1B (0.66) CACNA1BGAAEPHX2MEN1KMT2A
SCHEMBL2457872 0.84 CACNA1B (0.66) CACNA1BGAAEPHX2MEN1KMT2A
SCHEMBL3246463 0.84 CACNA1B (0.66) CACNA1BGAAEPHX2MEN1KMT2A
SCHEMBL66489 0.83 CACNA1B (0.64) CACNA1BGAAMEN1KMT2AALDH1A1
SCHEMBL66640 0.82 CACNA1B (0.58) CACNA1BGAAEPHX2MEN1KMT2A
SCHEMBL66557 0.81 CACNA1B (0.65) CACNA1BGAAMEN1KMT2AALDH1A1
SCHEMBL16497951 0.80 CACNA1B (0.57) CACNA1BGAAEPHX2MEN1KMT2A
SCHEMBL2419370 0.80 CACNA1B (0.57) CACNA1BGAAEPHX2MEN1KMT2A

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 5/4885GAA 2205/4885EPHX2 1564/4885
US-20110281870-A1 NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA[C]PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS CACNA1C, ORAI1, CACNA1S CACNA1B 5/4885GAA 2205/4885EPHX2 1564/4885

“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.