SCHEMBL10219992

SCHEMBL10219992

COc1ccc(-c2cc(C(C)(C)C)ncn2)cn1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 1/20 0.43
MKNK2 Q9HBH9 1/20 0.43
HSD17B1 P14061 1/20 0.42
HSD17B2 P37059 1/20 0.42
CYP2A6 P11509 2/20 0.42
DPP4 P27487 2/20 0.42
DPP8 Q6V1X1 2/20 0.42
CYP19A1 P11511 2/20 0.42
DPP7 Q9UHL4 1/20 0.42
PDGFRB P09619 1/20 0.41
PDGFRA P16234 1/20 0.41
KCNH2 Q12809 2/20 0.41
ERN1 O75460 2/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
SLC22A12 Q96S37 1/20 0.40
PIK3CA P42336 1/20 0.40
MAP3K8 P41279 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
SCHEMBL12963783 0.86 MKNK1 (0.40) MKNK1MKNK2HSD17B1HSD17B2CYP2A6
SCHEMBL10220554 0.80 CYP1A1 (0.41) SLC22A12PIK3CA
SCHEMBL15933173 0.80 CYP2A6 (0.46) MKNK1MKNK2HSD17B1HSD17B2CYP2A6
SCHEMBL10219991 0.80 NPC1 (0.49) DPP4
SCHEMBL10220818 0.78 MAPT (0.38) CYP2A6
SCHEMBL10219979 0.78 MKNK1 (0.45) MKNK1MKNK2HSD17B1HSD17B2CYP2A6
SCHEMBL3921315 0.78 MKNK1 (0.45) MKNK1MKNK2HSD17B1HSD17B2CYP2A6
SCHEMBL14804503 0.78 MIF (0.50) MKNK1MKNK2HSD17B1HSD17B2CYP2A6
SCHEMBL16903669 0.77 ABL1 (0.45) KCNH2PIK3CA
SCHEMBL12775278 0.77 HPGD (0.45) PDGFRBPDGFRAPIK3CA

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 12 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-20150342935-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL MYERS SQUIBB CO (US) 2015-12-03 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-8309577-B2 Quinuclidine compounds as α-7 nicotinic acetylcholine receptor ligands BRISTOL-MYERS SQUIBB COMPANY (US) 2012-11-13 US disclosed
US-8309577-B2 Quinuclidine compounds as α-7 nicotinic acetylcholine receptor ligands BRISTOL-MYERS SQUIBB COMPANY (US) 2012-11-13 US disclosed
US-20120035178-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands BRISTOL-MYERS SQUIBB COMPANY 2012-02-09 US disclosed
US-20120035189-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands BRISTOL-MYERS SQUIBB COMPANY 2012-02-09 US disclosed
US-7863291-B2 Quinuclidine compounds as alpha-7 nicotinic acetylcholine receptor ligands BRISTOL-MYERS SQUIBB COMPANY (US) 2011-01-04 US disclosed
US-20100099684-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands BRISTOL-MYERS SQUIBB COMPANY 2010-04-22 US disclosed
US-20100099684-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands BRISTOL-MYERS SQUIBB COMPANY 2010-04-22 US disclosed
US-20090270405-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL-MYERS SQUIBB COMPANY 2009-10-29 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 (8 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-20100099684-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands CHRNA7, CHRNA5, CHRNA6 MKNK1 2033/4885MKNK2 1719/4885HSD17B1 1846/4885
US-20120035189-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands CHRNA7, CHRNA5, CHRNA6 MKNK1 2033/4885MKNK2 1719/4885HSD17B1 1846/4885
US-20120035178-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands CHRNA7, CHRNA5, CHRNA6 MKNK1 2033/4885MKNK2 1719/4885HSD17B1 1846/4885
US-20140221377-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands CHRNA7, CHRNA5, CHRNA6 MKNK1 2033/4885MKNK2 1719/4885HSD17B1 1846/4885
US-20090270405-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS CHRNA7, CHRNA5, CHRNA6 MKNK1 2033/4885MKNK2 1719/4885HSD17B1 1846/4885
US-20160101104-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS CHRNA7, CHRNA5, CHRNA6 MKNK1 2033/4885MKNK2 1719/4885HSD17B1 1846/4885
US-20150342935-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS CHRNA7, CHRNA5, CHRNA6 MKNK1 2033/4885MKNK2 1719/4885HSD17B1 1846/4885
US-20150094309-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS CHRNA7, CHRNA5, CHRNA6 MKNK1 2033/4885MKNK2 1719/4885HSD17B1 1846/4885

“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.