SCHEMBL65616

SCHEMBL65616

CC(C)C[C@H](NCC(C)(C)C)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
MEN1 O00255 1/20 0.48
LMNA P02545 1/20 0.48
KMT2A Q03164 1/20 0.48
MAPT P10636 1/20 0.46
CTSS P25774 1/20 0.45
CTSK P43235 1/20 0.45
LAP3 P28838 3/20 0.45
FOLH1 Q04609 4/20 0.43
GRN P28799 3/20 0.40
SORT1 Q99523 3/20 0.40
PLA2G2A P14555 2/20 0.39
PLA2G5 P39877 2/20 0.39
RNPEP Q9H4A4 1/20 0.39
SLC7A5 Q01650 1/20 0.39
MME P08473 1/20 0.39
NAALAD2 Q9Y3Q0 1/20 0.38

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
SCHEMBL65617 1.00 ALDH1A1 (0.52) ALDH1A1MEN1LMNAKMT2AMAPT
SCHEMBL15542633 0.85 ALDH1A1 (0.48) ALDH1A1MEN1LMNAKMT2AMAPT
SCHEMBL16497793 0.83 GRN (0.36) ALDH1A1MEN1LMNAKMT2AMAPT
SCHEMBL29887038 0.82 CTSS (0.64) ALDH1A1MEN1LMNAKMT2AMAPT
SCHEMBL3242285 0.82 CTSS (0.41) ALDH1A1MEN1LMNAKMT2AMAPT
SCHEMBL23052779 0.79 TGFBR1 (0.42) ALDH1A1MEN1KMT2AMAPTFOLH1
SCHEMBL14926743 0.79 CA2 (0.34) ALDH1A1MEN1LMNAKMT2AMAPT
SCHEMBL21451319 0.79 TGFBR1 (0.42) ALDH1A1MEN1KMT2AMAPTFOLH1
SCHEMBL21451274 0.79 TGFBR1 (0.42) ALDH1A1MEN1KMT2AMAPTFOLH1
SCHEMBL14926737 0.79 CA2 (0.34) ALDH1A1MEN1LMNAKMT2AMAPT

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 4 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
WO-2011149995-A1 NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA [C]PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2011-12-01 WO 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 ALDH1A1 556/4885MEN1 1286/4885LMNA 598/4885
US-20110281870-A1 NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA[C]PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS CACNA1C, ORAI1, CACNA1S ALDH1A1 556/4885MEN1 1286/4885LMNA 598/4885

“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.