SCHEMBL10272464

SCHEMBL10272464

CCc1cc2cc(OC)c(OC)cc2cn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
PDE10A Q9Y233 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.44
KDM4E B2RXH2 1/20 0.44
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42
P2RX3 P56373 1/20 0.39
P2RX2 Q9UBL9 1/20 0.39
PDGFRB P09619 7/20 0.38
PDGFRA P16234 7/20 0.38
PGK1 P00558 1/20 0.38
CYP17A1 P05093 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
PLK4 O00444 1/20 0.37
PRKD3 O94806 1/20 0.37
MAP4K4 O95819 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
SCHEMBL10272827 0.88 ALDH1A1 (0.42) ALDH1A1PDE10ASMN1; SMN2KDM4EP2RX3
SCHEMBL12202933 0.82 P2RX3 (0.41) ALDH1A1PDE10ASMN1; SMN2KDM4EP2RX3
SCHEMBL10272610 0.78 NOS3 (0.36) ALDH1A1PDE10A
SCHEMBL20332308 0.76 FGFR4 (0.44) ALDH1A1PDE10ASMN1; SMN2KDM4E
SCHEMBL10272813 0.76 NOS3 (0.31) PDE10ACDK2CDK5
SCHEMBL12963743 0.76 GAA (0.35) PDE10AGAA
SCHEMBL28771177 0.75 PDE10A (0.55) ALDH1A1PDE10ASMN1; SMN2PDGFRBPDGFRA
SCHEMBL13952464 0.74 PTGS2 (0.36) ALDH1A1PDE10AP2RX3P2RX2
SCHEMBL20869190 0.74 P2RX3 (0.46) ALDH1A1PDE10AKDM4EPDE4APDE4B
SCHEMBL12090771 0.74 P2RX3 (0.36) ALDH1A1PDE10AP2RX3P2RX2PDGFRB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150094309-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL MYERS SQUIBB CO (US) 2015-04-02 US disclosed
US-20130131064-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands BRISTOL-MYERS SQUIBB COMPANY (US) 2013-05-23 US disclosed
US-20120035189-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands BRISTOL-MYERS SQUIBB COMPANY 2012-02-09 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-20120035189-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands CHRNA7, CHRNA5, CHRNA6 ALDH1A1 1082/4885PDE10A 1526/4885SMN1; SMN2 813/4885
US-20130131064-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands CHRNA7, CHRNA5, CHRNA6 ALDH1A1 1082/4885PDE10A 1526/4885SMN1; SMN2 813/4885
US-20150094309-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS CHRNA7, CHRNA5, CHRNA6 ALDH1A1 1082/4885PDE10A 1526/4885SMN1; SMN2 813/4885

“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.