SCHEMBL4194875

SCHEMBL4194875

O=C(NC1CN2CCC1CC2)c1ccc(-c2cccs2)o1

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 12/20 0.63
HTR3A P46098 6/20 0.63
HTR3E A5X5Y0 5/20 0.63
HTR3B O95264 5/20 0.63
HTR3D Q70Z44 5/20 0.63
HTR3C Q8WXA8 5/20 0.63
ALDH1A1 P00352 1/20 0.59
POLB P06746 1/20 0.59
CHRM3 P20309 3/20 0.53
CHRM2 P08172 2/20 0.53
CHRM1 P11229 2/20 0.53

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
SCHEMBL4194874 1.00 CHRNA7 (0.63) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL7129564 0.89 CHRNA7 (0.52) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL5072898 0.82 CHRNA7 (0.54) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL7001352 0.82 CHRNA7 (0.54) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL4202120 0.81 ALDH1A1 (0.72) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL4198172 0.81 ALDH1A1 (0.72) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL7064304 0.80 CHRNA7 (0.66) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL4204301 0.80 ALDH1A1 (0.64) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL4199107 0.80 ALDH1A1 (0.64) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL4204433 0.80 ALDH1A1 (0.70) CHRNA7HTR3AHTR3EHTR3BHTR3D

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 CHRNA7 145/4885HTR3A 667/4885HTR3E 569/4885
US-20030008867-A1 Compounds DRD2, DRD1, GRIN2A CHRNA7 209/4885HTR3A 347/4885HTR3E 350/4885
US-20040259909-A1 Treatment of fibromyalgia syndrome CHRNA7, CHRNA5, CHRNA10 CHRNA7 1/4885HTR3A 71/4885HTR3E 251/4885

“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.