SCHEMBL558311

SCHEMBL558311

COc1ncc2nc(N)sc2n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FTO Q9C0B1 2/20 0.50
ALKBH5 Q6P6C2 1/20 0.50
CYP1A2 P05177 7/20 0.40
CYP3A4 P08684 5/20 0.40
CYP2C19 P33261 1/20 0.40
PIK3CD O00329 3/20 0.39
PIK3CA P42336 3/20 0.39
PIK3CB P42338 3/20 0.39
PI4KA P42356 3/20 0.39
PI4KB Q9UBF8 3/20 0.39
PIK3CG P48736 2/20 0.39
PIP5K1C O60331 1/20 0.39
ALDH1A1 P00352 5/20 0.34
TSHR P16473 3/20 0.34
TP53 P04637 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 3/20 0.34
POLB P06746 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34

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
SCHEMBL31229313 0.82 PIK3CA (0.45) FTOALKBH5CYP1A2CYP3A4CYP2C19
SCHEMBL6844987 0.80 CYP1A2 (0.41) FTOALKBH5CYP1A2CYP3A4CYP2C19
SCHEMBL31119775 0.78 TSHR (0.37) FTOALKBH5CYP1A2CYP3A4PIK3CD
SCHEMBL31130631 0.77 FTO (0.35) FTOALKBH5CYP3A4PIK3CDPIK3CA
SCHEMBL10272452 0.76 GAA (0.42) FTOALKBH5CYP1A2CYP3A4CYP2C19
SCHEMBL10220627 0.76 CYP1A2 (0.36) FTOALKBH5CYP1A2CYP3A4CYP2C19
SCHEMBL17249989 0.76 CYP1A2 (0.40) FTOALKBH5CYP1A2CYP3A4CYP2C19
SCHEMBL5534850 0.76 SMN1; SMN2 (0.41) FTOALKBH5CYP1A2CYP3A4CYP2C19
SCHEMBL1650805 0.72 SMN1; SMN2 (0.37) FTOALKBH5CYP3A4PIK3CDPIK3CA
SCHEMBL31318726 0.71 PIK3CA (0.59) FTOALKBH5PIK3CDPIK3CAPIK3CB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-20160101104-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL MYERS SQUIBB CO (US) 2016-04-14 US disclosed
US-20160101104-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL MYERS SQUIBB CO (US) 2016-04-14 US disclosed
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-20150342935-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL MYERS SQUIBB CO (US) 2015-12-03 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-20150322089-A1 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) 2015-11-12 US disclosed
US-20090270405-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL-MYERS SQUIBB COMPANY 2009-10-29 US disclosed
US-20090270405-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL-MYERS SQUIBB COMPANY 2009-10-29 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
WO-2009131926-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-10-29 WO disclosed
US-7514439-B2 Oxime derivative and preparations thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-04-07 US disclosed
US-7514439-B2 Oxime derivative and preparations thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-04-07 US disclosed
US-20080132479-A1 Oxime Derivative and Preparations Thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2008-06-05 US disclosed
US-20080132479-A1 Oxime Derivative and Preparations Thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2008-06-05 US disclosed
WO-2007007886-A1 AN OXIME DERIVATIVE AND PREPARATIONS THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-01-18 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 (5 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-20090270405-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS CHRNA7, CHRNA5, CHRNA6 FTO 4502/4885ALKBH5 4519/4885CYP1A2 2027/4885
US-20160101104-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS CHRNA7, CHRNA5, CHRNA6 FTO 4502/4885ALKBH5 4519/4885CYP1A2 2027/4885
US-20080132479-A1 Oxime Derivative and Preparations Thereof GCK, KHK, GCKR FTO 101/4885ALKBH5 1466/4885CYP1A2 611/4885
US-20150342935-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS CHRNA7, CHRNA5, CHRNA6 FTO 4502/4885ALKBH5 4519/4885CYP1A2 2027/4885
US-20150322089-A1 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 CHRNA7, CHRNA2, CHRNA1 FTO 2995/4885ALKBH5 2893/4885CYP1A2 441/4885

“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.