SCHEMBL67509

SCHEMBL67509

CC(C)CC(NCC(C)(C)C)C(=O)OC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 5/20 0.45
TDP1 Q9NUW8 4/20 0.45
POLB P06746 4/20 0.45
MAPT P10636 7/20 0.42
KMT2A Q03164 5/20 0.42
MEN1 O00255 4/20 0.42
ALDH1A1 P00352 2/20 0.42
CTSL P07711 2/20 0.42
CTSS P25774 2/20 0.42
CTSK P43235 2/20 0.42
CTSB P07858 1/20 0.42
RECQL P46063 3/20 0.41
XBP1 P17861 1/20 0.41
GAA P10253 1/20 0.40
NPR3 P17342 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C8 P10632 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 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
SCHEMBL67510 1.00 NPSR1 (0.45) NPSR1TDP1POLBMAPTKMT2A
SCHEMBL27922423 0.84 NPSR1 (0.46) NPSR1TDP1POLBMAPTKMT2A
SCHEMBL27922427 0.84 NPSR1 (0.46) NPSR1TDP1POLBMAPTKMT2A
Hydrochloric Acid SCHEMBL320059 0.83 NPSR1 (0.45) NPSR1TDP1POLBMAPTKMT2A
SCHEMBL6224857 0.80 MAPT (0.48) NPSR1TDP1POLBMAPTKMT2A
SCHEMBL7367580 0.80 MAPT (0.48) NPSR1TDP1POLBMAPTKMT2A
SCHEMBL7343698 0.80 NPSR1 (0.48) NPSR1TDP1POLBMAPTKMT2A
SCHEMBL29196456 0.80 NPSR1 (0.43) NPSR1TDP1POLBMAPTKMT2A
SCHEMBL22232457 0.80 CTSL (0.43) NPSR1TDP1POLBMAPTKMT2A
SCHEMBL22232456 0.80 CTSL (0.43) NPSR1TDP1POLBMAPTKMT2A

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 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
EP-2367790-A2 SUBSTITUTED OCTAHYDROCYCLOPENTA(C)PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS Abbott Laboratories (US) 2011-09-28 EP disclosed
WO-2010062927-A2 NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA(C)PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2010-06-03 WO 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 NPSR1 269/4885TDP1 1989/4885POLB 3123/4885
US-20110281870-A1 NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA[C]PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS CACNA1C, ORAI1, CACNA1S NPSR1 269/4885TDP1 1989/4885POLB 3123/4885

“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.