SCHEMBL4201218

SCHEMBL4201218

O=C(NC1CN2CCC1CC2)c1ccc(-c2cccc([N+](=O)[O-])c2)o1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.78
POLB P06746 2/20 0.78
NPC1 O15118 5/20 0.66
RAB9A P51151 5/20 0.66
MAPT P10636 6/20 0.59
GAA P10253 2/20 0.59
KDM4E B2RXH2 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
CHRNA7 P36544 2/20 0.59
OPRM1 P35372 1/20 0.55
OPRD1 P41143 1/20 0.55
RAD52 P43351 1/20 0.55
RAC1 P63000 1/20 0.54
KMT2A Q03164 5/20 0.53
MEN1 O00255 3/20 0.53
HTT P42858 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
MAPK1 P28482 2/20 0.52
NPSR1 Q6W5P4 2/20 0.52
PDE4B Q07343 1/20 0.51

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
SCHEMBL4205819 1.00 ALDH1A1 (0.78) ALDH1A1POLBNPC1RAB9AMAPT
SCHEMBL7225507 0.91 ALDH1A1 (0.65) ALDH1A1POLBNPC1RAB9AMAPT
SCHEMBL7059192 0.91 ALDH1A1 (0.65) ALDH1A1POLBNPC1RAB9AMAPT
SCHEMBL7062806 0.88 ALDH1A1 (1.00) ALDH1A1POLBNPC1RAB9AMAPT
SCHEMBL3898882 0.88 ALDH1A1 (1.00) ALDH1A1POLBNPC1RAB9AMAPT
SCHEMBL7063801 0.85 ALDH1A1 (0.63) ALDH1A1POLBCHRNA7
SCHEMBL7133075 0.84 ALDH1A1 (0.55) ALDH1A1POLBNPC1RAB9ACHRNA7
SCHEMBL5076048 0.84 ALDH1A1 (0.55) ALDH1A1POLBNPC1RAB9AMAPT
SCHEMBL5073075 0.84 ALDH1A1 (0.55) ALDH1A1POLBNPC1RAB9AMAPT
SCHEMBL4201068 0.84 ALDH1A1 (0.62) ALDH1A1POLBNPC1RAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1545537-B9 ALPHA-7 NICOTINIC RECEPTOR AGONISTS AND STATINS IN COMBINATION ASTRAZENECA AB (SE) 2008-08-20 EP claimed
EP-1545537-B1 ALPHA-7 NICOTINIC RECEPTOR AGONISTS AND STATINS IN COMBINATION ASTRAZENECA AB (SE) 2007-04-04 EP claimed
US-7001914-B2 Compounds ASTRAZENECA AB (SE) 2006-02-21 US claimed
US-20050256146-A1 Alpha-7 nicotinic receptor agonists and stains in combination ASTRAZENECA AB (SE) 2005-11-17 US claimed
EP-1545537-A1 ALPHA-7 NICOTINIC RECEPTOR AGONISTS AND STATINS IN COMBINATION AstraZeneca AB (SE) 2005-06-29 EP claimed
US-20040259909-A1 Treatment of fibromyalgia syndrome ASTRAZENECA AB (SE) 2004-12-23 US claimed
WO-2004019947-A1 ALPHA-7 NICOTINIC RECEPTOR AGONISTS AND STATINS IN COMBINATION ASTRAZENECA AB (SE) 2004-03-11 WO claimed
EP-1259508-B1 NOVEL BIARYLCARBOXAMIDES ASTRAZENECA AB (SE) 2003-10-15 EP claimed
US-20030008867-A1 Compounds ASTRAZENECA AB (SE) 2003-01-09 US claimed
EP-1259508-A1 NOVEL BIARYLCARBOXAMIDES AstraZeneca AB (SE) 2002-11-27 EP claimed
WO-2001060821-A1 NOVEL BIARYLCARBOXAMIDES ASTRAZENECA AB (SE) 2001-08-23 WO claimed
US-20090192180-A1 Alpha-7 Nicotinic Receptor Agonists and Statins In Combination KEITH RICHARD 2009-07-30 US disclosed
US-7491734-B2 2-(pyridine-4-yl)-N-(quinuclidin-2-yl)thiazole-4-carboxide nicotinic acetylcholine receptor ligands ASTRAZENECA AB (SE) 2009-02-17 US disclosed
EP-1545537-B9 ALPHA-7 NICOTINIC RECEPTOR AGONISTS AND STATINS IN COMBINATION ASTRAZENECA AB (SE) 2008-08-20 EP disclosed
US-20070149563-A1 New Compounds PHILLIPS EIFION 2007-06-28 US disclosed
WO-2004019947-A1 ALPHA-7 NICOTINIC RECEPTOR AGONISTS AND STATINS IN COMBINATION ASTRAZENECA AB (SE) 2004-03-11 WO disclosed
EP-1259508-B1 NOVEL BIARYLCARBOXAMIDES ASTRAZENECA AB (SE) 2003-10-15 EP disclosed
US-20030008867-A1 Compounds ASTRAZENECA AB (SE) 2003-01-09 US disclosed
EP-1259508-A1 NOVEL BIARYLCARBOXAMIDES AstraZeneca AB (SE) 2002-11-27 EP disclosed
WO-2001060821-A1 NOVEL BIARYLCARBOXAMIDES ASTRAZENECA AB (SE) 2001-08-23 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 (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-20070149563-A1 New Compounds DRD1, DRD2, GRIN2A ALDH1A1 137/4885POLB 3912/4885NPC1 1018/4885
US-20030008867-A1 Compounds DRD2, DRD1, GRIN2A ALDH1A1 75/4885POLB 3437/4885NPC1 869/4885
US-20040259909-A1 Treatment of fibromyalgia syndrome CHRNA7, CHRNA5, CHRNA10 ALDH1A1 3093/4885POLB 4199/4885NPC1 3963/4885

“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.