SCHEMBL558602

SCHEMBL558602

[c]1nc2c(C3CNCCO3)cccc2s1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.44
DRD3 P35462 1/20 0.44
HTR1A P08908 1/20 0.41
PRKACA P17612 1/20 0.37
PRKACG P22612 1/20 0.37
PRKACB P22694 1/20 0.37
HTR2A P28223 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
SCHEMBL1686001 0.75 DRD2 (0.40) DRD2DRD3HTR1A
SCHEMBL28609080 0.75 DRD2 (0.43) DRD2DRD3HTR1A
SCHEMBL28849858 0.75 PDPK1 (0.42) DRD2DRD3HTR1APRKACAPRKACG
SCHEMBL4269861 0.75 DRD2 (0.42) DRD2DRD3HTR1AHTR2A
SCHEMBL8826785 0.74 DRD2 (0.39) DRD2DRD3HTR1A
SCHEMBL3884834 0.73 DRD2 (0.38) DRD2DRD3HTR1A
SCHEMBL18894189 0.72 HRH1 (0.40) DRD2DRD3HTR1A
SCHEMBL28415966 0.71 HRH1 (0.44) DRD2DRD3HTR1AHTR2A
SCHEMBL1176963 0.69 DRD2 (0.46) DRD2DRD3HTR1AHTR2A
SCHEMBL4574526 0.69 MAPT (0.36)

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 52 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2271650-B1 Quinuclidine compounds as alpha-7 nicotinic acetylcholine receptor ligands BRISTOL MYERS SQUIBB CO (US) 2015-09-16 EP claimed
EP-2493894-B1 AZABICYCLIC COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL MYERS SQUIBB CO (US) 2014-01-29 EP claimed
EP-2493893-B1 AZABICYCLO[2.2.1]HEPTANE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL MYERS SQUIBB CO (US) 2014-01-15 EP claimed
US-8309577-B2 Quinuclidine compounds as α-7 nicotinic acetylcholine receptor ligands BRISTOL-MYERS SQUIBB COMPANY (US) 2012-11-13 US claimed
US-8278320-B2 Azabicyclo[2.2.1]heptane compounds as alpha-7 nicotinic acetylcholine receptor ligands BRISTOL-MYERS SQUIBB COMPANY (US) 2012-10-02 US claimed
EP-2493894-A1 AZABICYCLIC COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS Bristol-Myers Squibb Company (US) 2012-09-05 EP claimed
EP-2493893-A1 AZABICYCLO[2.2.1]HEPTANE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS Bristol-Myers Squibb Company (US) 2012-09-05 EP claimed
US-20110269787-A1 Azabicyclic Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands BRISTOL-MYERS SQUIBB COMPANY 2011-11-03 US claimed
US-20110263605-A1 Azabicyclo[2.2.1]Heptane Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands BRISTOL-MYERS SQUIBB COMPANY 2011-10-27 US claimed
WO-2011056503-A1 AZABICYCLO[2.2.1] HEPTANE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-05-12 WO claimed
WO-2011056573-A1 AZABICYCLIC COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-05-12 WO claimed
EP-2271650-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS Bristol-Myers Squibb Company (US) 2011-01-12 EP claimed
US-7863291-B2 Quinuclidine compounds as alpha-7 nicotinic acetylcholine receptor ligands BRISTOL-MYERS SQUIBB COMPANY (US) 2011-01-04 US claimed
US-20100099684-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands BRISTOL-MYERS SQUIBB COMPANY 2010-04-22 US claimed
US-20090270405-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL-MYERS SQUIBB COMPANY 2009-10-29 US claimed
WO-2009131926-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-10-29 WO claimed
EP-2855471-B1 QUINUCLIDINE, 1-AZABICYCLO[2.2.1]HEPTANE, 1-AZABICYCLO [3.2.1]OCTANE, and 1-AZABICYCLO[3.2.2]NONANE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL MYERS SQUIBB CO (US) 2017-11-15 EP disclosed
US-9458179-B2 Quinuclidine, 1-azabicyclo[2.2.1]heptane, 1-azabicyclo [3.2.1]octane, and 1-azabicyclo[3.2.2]nonane compounds as alpha-7 nicotinic acetylcholine receptor ligands BRISTOL-MYERS SQUIBB COMPANY (US) 2016-10-04 US disclosed
US-20090270405-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL-MYERS SQUIBB COMPANY 2009-10-29 US disclosed
WO-2009131926-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-10-29 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-20100099684-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands CHRNA7, CHRNA5, CHRNA6 DRD2 240/4885DRD3 367/4885HTR1A 85/4885
US-20110263605-A1 Azabicyclo[2.2.1]Heptane Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands CHRNA7, CHRNA2, CHRNA5 DRD2 313/4885DRD3 587/4885HTR1A 43/4885
US-20090270405-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS CHRNA7, CHRNA5, CHRNA6 DRD2 240/4885DRD3 367/4885HTR1A 85/4885
US-20110269787-A1 Azabicyclic Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands CHRNA7, CHRNA6, CHRNA5 DRD2 538/4885DRD3 1031/4885HTR1A 130/4885

“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.