SCHEMBL10272995

SCHEMBL10272995

CCc1cc2c(Br)cccc2cn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.36
PDE10A Q9Y233 3/20 0.35
ATM Q13315 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
NOS1 P29475 2/20 0.33
AXL P30530 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
KDM4E B2RXH2 1/20 0.32
GPR3 P46089 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2A6 P11509 1/20 0.32
GABRA1 P14867 2/20 0.32
GABRB2 P47870 2/20 0.32
FGFR1 P11362 1/20 0.32
GABRP O00591 1/20 0.32
GABRD O14764 1/20 0.32
IDO1 P14902 1/20 0.32
GABRB1 P18505 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32

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
SCHEMBL10272465 0.79 MAPT (0.43) PDE10AATML3MBTL1TRPV1KDM4E
SCHEMBL10272993 0.79 CYP1A2 (0.39) PDE10AATML3MBTL1NOS1TRPV1
SCHEMBL6169454 0.79 CYP3A4 (0.44) PDE10AATML3MBTL1KDM4ECYP1A2
SCHEMBL25919065 0.77 CYP2C19 (0.44) PDE10ATRPV1KDM4EGPR3GABRA1
SCHEMBL31399686 0.77 CYP1A2 (0.53) BACE1NOS1AXLTRPV1KDM4E
SCHEMBL2171256 0.77 CYP1A2 (0.53) BACE1NOS1AXLTRPV1KDM4E
SCHEMBL30711094 0.76 EGFR (0.43) NOS1AXLKDM4EGABRA1GABRG2
SCHEMBL30184761 0.76 FGFR1 (0.39) BACE1NOS1AXLKDM4EGPR3
SCHEMBL28666568 0.76 FGFR1 (0.39) BACE1NOS1AXLKDM4EGPR3
SCHEMBL873512 0.74 CYP1A2 (0.54) PDE10AATML3MBTL1KDM4ECYP1A2

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-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-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 BACE1 723/4885PDE10A 1526/4885ATM 2487/4885
US-20160101104-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS CHRNA7, CHRNA5, CHRNA6 BACE1 723/4885PDE10A 1526/4885ATM 2487/4885
US-20150342935-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS CHRNA7, CHRNA5, CHRNA6 BACE1 723/4885PDE10A 1526/4885ATM 2487/4885

“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.