SCHEMBL4201241

SCHEMBL4201241

O=C(N[C@H]1CN2CCC1CC2)c1cc(-c2cccnc2)cs1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.55
CHRNA4 P43681 1/20 0.55
CHRNA7 P36544 15/20 0.54
HTR3A P46098 9/20 0.54
HTR3E A5X5Y0 8/20 0.54
HTR3B O95264 8/20 0.54
HTR3D Q70Z44 8/20 0.54
HTR3C Q8WXA8 8/20 0.54

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
SCHEMBL4197179 1.00 CHRNB2 (0.55) CHRNB2CHRNA4CHRNA7HTR3AHTR3E
SCHEMBL4196158 0.88 CHRNA7 (0.54) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL4195001 0.88 CHRNA7 (0.54) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL4205011 0.87 CHRNA7 (0.67) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL4205007 0.87 CHRNA7 (0.67) CHRNA7HTR3AHTR3EHTR3BHTR3D
Hydrochloric Acid SCHEMBL7059422 0.86 CHRNA7 (0.65) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL5072520 0.84 CHRNA7 (0.48) CHRNB2CHRNA4CHRNA7HTR3AHTR3E
SCHEMBL5072895 0.84 CHRNA7 (0.48) CHRNB2CHRNA4CHRNA7HTR3AHTR3E
SCHEMBL4191066 0.83 CHRNA7 (0.78) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL4191068 0.83 CHRNA7 (0.78) 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 22 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
US-7214688-B2 Compounds ASTRAZENECA AB (SE) 2007-05-08 US claimed
EP-1545537-B1 ALPHA-7 NICOTINIC RECEPTOR AGONISTS AND STATINS IN COMBINATION ASTRAZENECA AB (SE) 2007-04-04 EP claimed
US-20060128749-A1 Compounds PHILLIPS EIFION 2006-06-15 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
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
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
US-7214688-B2 Compounds ASTRAZENECA AB (SE) 2007-05-08 US disclosed
US-7001914-B2 Compounds ASTRAZENECA AB (SE) 2006-02-21 US disclosed
US-20050256146-A1 Alpha-7 nicotinic receptor agonists and stains in combination ASTRAZENECA AB (SE) 2005-11-17 US disclosed
EP-1545537-A1 ALPHA-7 NICOTINIC RECEPTOR AGONISTS AND STATINS IN COMBINATION AstraZeneca AB (SE) 2005-06-29 EP 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

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-20060128749-A1 Compounds DRD2, DRD1, GRIN2A CHRNB2 225/4885CHRNA4 463/4885CHRNA7 302/4885
US-20070149563-A1 New Compounds DRD1, DRD2, GRIN2A CHRNB2 108/4885CHRNA4 201/4885CHRNA7 145/4885
US-20030008867-A1 Compounds DRD2, DRD1, GRIN2A CHRNB2 269/4885CHRNA4 287/4885CHRNA7 209/4885

“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.