SCHEMBL4199079

SCHEMBL4199079

O=C(NC1CN2CCC1CC2)c1ccc(-c2ccco2)o1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.61
POLB P06746 1/20 0.61
CHRNA7 P36544 10/20 0.54
HTR3A P46098 3/20 0.51
HTR3E A5X5Y0 2/20 0.49
HTR3B O95264 2/20 0.49
HTR3D Q70Z44 2/20 0.49
HTR3C Q8WXA8 2/20 0.49
CYP2D6 P10635 1/20 0.49
CHRNB4 P30926 1/20 0.49
CHRNA3 P32297 1/20 0.49

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
SCHEMBL4204798 1.00 ALDH1A1 (0.61) ALDH1A1POLBCHRNA7HTR3AHTR3E
SCHEMBL7060353 0.92 ALDH1A1 (0.69) ALDH1A1POLBCHRNA7HTR3AHTR3E
SCHEMBL7180545 0.91 ALDH1A1 (0.57) ALDH1A1POLBCHRNA7HTR3A
SCHEMBL7063259 0.89 ALDH1A1 (0.60) ALDH1A1POLBCHRNA7HTR3AHTR3E
SCHEMBL9645982 0.84 ALDH1A1 (0.62) ALDH1A1CHRNA7HTR3AHTR3EHTR3B
SCHEMBL4202120 0.83 ALDH1A1 (0.72) ALDH1A1POLBCHRNA7HTR3AHTR3E
SCHEMBL4198172 0.83 ALDH1A1 (0.72) ALDH1A1POLBCHRNA7HTR3AHTR3E
Hydrochloric Acid SCHEMBL9645586 0.83 ALDH1A1 (0.61) ALDH1A1CHRNA7HTR3AHTR3EHTR3B
SCHEMBL5072602 0.82 CHRNA7 (0.46) ALDH1A1POLBCHRNA7HTR3AHTR3E
SCHEMBL5072528 0.82 CHRNA7 (0.46) ALDH1A1POLBCHRNA7HTR3AHTR3E

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 29 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
EP-1259508-B1 NOVEL BIARYLCARBOXAMIDES ASTRAZENECA AB (SE) 2003-10-15 EP disclosed
WO-2003032897-A2 AZABICYCLIC COMPOUNDS FOR THE TREATMENT OF FIBROMYALGIA SYNDROME ASTRAZENECA AB (SE) 2003-04-24 WO 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 3912/4885CHRNA7 145/4885
US-20030008867-A1 Compounds DRD2, DRD1, GRIN2A ALDH1A1 75/4885POLB 3437/4885CHRNA7 209/4885
US-20040259909-A1 Treatment of fibromyalgia syndrome CHRNA7, CHRNA5, CHRNA10 ALDH1A1 3093/4885POLB 4199/4885CHRNA7 1/4885

“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.