SCHEMBL10272610

SCHEMBL10272610

CCc1cc2cc(C)c(C)cc2cn1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 3/20 0.36
NOS2 P35228 3/20 0.36
NOS1 P29475 2/20 0.35
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 2/20 0.32
POLB P06746 1/20 0.32
PDE10A Q9Y233 1/20 0.31
SREBF1 P36956 1/20 0.31
SREBF2 Q12772 1/20 0.31
CYP2A6 P11509 1/20 0.30
ESR1 P03372 1/20 0.30

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
SCHEMBL10272813 0.81 NOS3 (0.31) NOS3NOS2CYP1A2POLBPDE10A
SCHEMBL12963743 0.81 GAA (0.35) NOS3NOS2CYP1A2POLBPDE10A
SCHEMBL7124872 0.79 NOS3 (0.46) NOS3NOS2NOS1ALDH1A1CYP1A2
SCHEMBL12963786 0.78 CYP1A2 (0.48) NOS3NOS2ALDH1A1CYP1A2PDE10A
SCHEMBL10272464 0.78 ALDH1A1 (0.52) ALDH1A1PDE10A
SCHEMBL873512 0.74 CYP1A2 (0.54) CYP1A2PDE10ACYP2A6
SCHEMBL803215 0.74 CYP1A2 (0.53) NOS3NOS2NOS1ALDH1A1CYP1A2
SCHEMBL26141731 0.74 MAPT (0.44) CYP1A2POLBPDE10A
SCHEMBL10272520 0.72 CYP2A6 (0.42) NOS1PDE10ACYP2A6
SCHEMBL12963913 0.72 GSK3A (0.42) NOS1ALDH1A1CYP1A2PDE10ACYP2A6

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-20150342935-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL MYERS SQUIBB CO (US) 2015-12-03 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-20120035189-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands BRISTOL-MYERS SQUIBB COMPANY 2012-02-09 US disclosed
US-20100099684-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands BRISTOL-MYERS SQUIBB COMPANY 2010-04-22 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 (3 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 NOS3 2801/4885NOS2 3530/4885NOS1 2447/4885
US-20120035189-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands CHRNA7, CHRNA5, CHRNA6 NOS3 2801/4885NOS2 3530/4885NOS1 2447/4885
US-20150342935-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS CHRNA7, CHRNA5, CHRNA6 NOS3 2801/4885NOS2 3530/4885NOS1 2447/4885

“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.