SCHEMBL66317

SCHEMBL66317

CC(C)(C)C[C@@H](C(=O)N[C@H]1CC[C@@H]2CN(S(=O)(=O)c3ccc(F)cc3)C[C@@H]21)N(C(=O)O)C(C)(C)C

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 13/20 0.60
MAPT P10636 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
KMT2A Q03164 1/20 0.38
TSHR P16473 1/20 0.37
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
EPHX2 P34913 1/20 0.36
POLB P06746 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
SCHEMBL66266 0.92 CACNA1B (0.73) CACNA1BEPHX2
SCHEMBL66742 0.85 CACNA1B (0.71) CACNA1B
SCHEMBL65954 0.85 CACNA1B (0.59) CACNA1BMAPTTDP1TSHR
SCHEMBL67515 0.85 CACNA1B (0.59) CACNA1BMAPTTDP1TSHR
SCHEMBL67514 0.85 CACNA1B (0.59) CACNA1BMAPTTDP1TSHR
SCHEMBL65953 0.85 CACNA1B (0.59) CACNA1BMAPTTDP1TSHR
SCHEMBL66808 0.84 CACNA1B (0.55) CACNA1BMAPTTDP1KMT2ATSHR
SCHEMBL66230 0.84 CACNA1B (0.83) CACNA1BMAPTTDP1KMT2ATSHR
SCHEMBL67688 0.83 CACNA1B (0.58) CACNA1BMAPTTDP1KMT2ATSHR
SCHEMBL68197 0.83 CACNA1B (0.70) CACNA1B

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 5/4885MAPT 1184/4885TDP1 1989/4885
US-20110281870-A1 NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA[C]PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS CACNA1C, ORAI1, CACNA1S CACNA1B 5/4885MAPT 1184/4885TDP1 1989/4885

“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.