SCHEMBL46328

SCHEMBL46328

Cc1cnc(N2CCCC2=O)cn1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.49
PCSK9 Q8NBP7 1/20 0.46
CNR2 P34972 1/20 0.45
HSD17B10 Q99714 1/20 0.42
PARP1 P09874 1/20 0.41
PDE10A Q9Y233 7/20 0.40
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40
LMNA P02545 1/20 0.40
PIM1 P11309 1/20 0.38
PIM3 Q86V86 1/20 0.38
PIM2 Q9P1W9 1/20 0.38
ALDH1A1 P00352 1/20 0.38
IDH1 O75874 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL558044 0.82 ALOX5AP (0.46) L3MBTL1PCSK9CNR2HSD17B10PARP1
SCHEMBL12963895 0.81 PCSK9 (0.46) L3MBTL1PCSK9CNR2HSD17B10PARP1
SCHEMBL16498074 0.81 CNR2 (0.44) L3MBTL1PCSK9CNR2HSD17B10PARP1
SCHEMBL10219975 0.80 PCSK9 (0.43) L3MBTL1PCSK9CNR2HSD17B10PARP1
SCHEMBL46340 0.79 CNR2 (0.52) L3MBTL1PCSK9CNR2HSD17B10PARP1
SCHEMBL30470842 0.79 CNR2 (0.52) L3MBTL1PCSK9CNR2HSD17B10PARP1
SCHEMBL12051490 0.76 L3MBTL1 (0.46) L3MBTL1CNR2HSD17B10PARP1PDE10A
SCHEMBL1727049 0.76 AKR1C3 (0.52) L3MBTL1LMNAALDH1A1KMT2A
SCHEMBL13436027 0.76 PCSK9 (0.42) L3MBTL1PCSK9CNR2HSD17B10PARP1
SCHEMBL30638502 0.75 GAA (0.43) L3MBTL1PCSK9CNR2PARP1PIM1

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-20160101104-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL MYERS SQUIBB CO (US) 2016-04-14 US disclosed
US-20150094309-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL MYERS SQUIBB CO (US) 2015-04-02 US disclosed
US-20140221377-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands BRISTOL MYERS SQUIBB CO (US) 2014-08-07 US disclosed
US-20130131064-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands BRISTOL-MYERS SQUIBB COMPANY (US) 2013-05-23 US disclosed
WO-2011151436-A2 NOVEL COMPOUNDS, METHOD FOR USE THEM AND PHARMACEUTICAL COMPOSITION CONTAINING THEM EUROSCREEN S.A. (BE) 2011-12-08 WO disclosed
WO-2011151434-A1 NOVEL COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING METABOLIC DISORDERS EUROSCREEN S.A. (BE) 2011-12-08 WO 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 (4 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-20140221377-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands CHRNA7, CHRNA5, CHRNA6 L3MBTL1 3179/4885PCSK9 3278/4885CNR2 149/4885
US-20130131064-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands CHRNA7, CHRNA5, CHRNA6 L3MBTL1 3179/4885PCSK9 3278/4885CNR2 149/4885
US-20160101104-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS CHRNA7, CHRNA5, CHRNA6 L3MBTL1 3179/4885PCSK9 3278/4885CNR2 149/4885
US-20150094309-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS CHRNA7, CHRNA5, CHRNA6 L3MBTL1 3179/4885PCSK9 3278/4885CNR2 149/4885

“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.