SCHEMBL699563

SCHEMBL699563

c1cncc(CCC2CC3CCN2CC3)c1

nearest known ligand 0.74

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 6/20 0.74
CHRNB2 P17787 3/20 0.74
CHRNA4 P43681 3/20 0.74
SLC6A2 P23975 1/20 0.48
SLC6A4 P31645 1/20 0.48
HRH3 Q9Y5N1 1/20 0.47
CYP2A6 P11509 1/20 0.41

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
Hydrochloric Acid SCHEMBL7047408 0.99 CHRNA7 (0.72) CHRNA7CHRNB2CHRNA4SLC6A2SLC6A4
SCHEMBL701149 0.92 CHRNA7 (0.70) CHRNA7CHRNB2CHRNA4SLC6A2SLC6A4
SCHEMBL700621 0.90 CHRNA7 (0.68) CHRNA7CHRNB2CHRNA4SLC6A2SLC6A4
SCHEMBL31375369 0.85 CHRNA7 (1.00) CHRNA7CHRNB2CHRNA4
SCHEMBL703479 0.85 CHRNA7 (1.00) CHRNA7CHRNB2CHRNA4
SCHEMBL3223016 0.81 SLC18A2 (0.53) CHRNA7CHRNB2CHRNA4
SCHEMBL12063279 0.77 CHRNA7 (0.83) CHRNA7CHRNB2CHRNA4
SCHEMBL701126 0.77 CHRNA7 (0.83) CHRNA7CHRNB2CHRNA4
SCHEMBL8200213 0.74 SLC6A2 (0.58) CHRNA7SLC6A2SLC6A4HRH3CYP2A6
SCHEMBL701090 0.73 CHRNA7 (0.47) CHRNA7CHRNB2CHRNA4SLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8541447-B2 3-substituted-2-(arlyalkyl)-1-azabicycloalkanes and methods of use thereof TARGACEPT, INC. (US) 2013-09-24 US disclosed
US-20120136024-A1 3-Substituted-2-(arlyalkyl)-1-azabicycloalkanes and Methods of Use Thereof TARGACEPT, INC. (US) 2012-05-31 US disclosed
US-8158649-B2 3-substituted-2(arylalkyl)-1-azabicycloalkanes and methods of use thereof TARGACEPT, INC. (US) 2012-04-17 US disclosed
US-8143272-B2 3-substituted-2(arylalkyl)-1-azabicycloalkanes and methods of use thereof TARGACEPT, INC. (US) 2012-03-27 US disclosed
US-8124618-B2 3-substituted-2(arylalkyl)-1-azabicycloalkanes and methods of use thereof TARGACEPT, INC. (US) 2012-02-28 US disclosed
US-8124619-B2 3-substituted-2(arylalkyl)-1-azabicycloalkanes and methods of use thereof TARGACEPT, INC. (US) 2012-02-28 US disclosed
US-8124620-B2 3-Substituted-2(arylalkyl)-1-azabicycloalkanes and methods of use thereof TARGACEPT, INC. (US) 2012-02-28 US disclosed
US-8084462-B2 3-substituted-2(arylalkyl)-1-azabicycloalkanes and methods of use thereof TARGACEPT, INC. (US) 2011-12-27 US disclosed
US-20110071189-A1 3-SUBSTITUTED-2(ARYLALKYL)-1-AZABICYCLOALKANES AND METHODS OF USE THEREOF TARGACEPT, INC. (US) 2011-03-24 US disclosed
US-20110071188-A1 3-SUBSTITUTED-2(ARYLALKYL)-1-AZABICYCLOALKANES AND METHODS OF USE THEREOF TARGACEPT, INC. (US) 2011-03-24 US disclosed
US-20060247270-A1 e.g. 2-((3-pyridinyl)methyl)-1-azabicyclo[2.2.2]oct-3-yl N-phenylcarbamate; nicotinic acetylcholine receptors alpha 7 (nAChRs)/neurotransmitter modulator; diagnostic radiolabel; central nervous systrem disorders, autoimmune diseases; antiinflammatory, antitumor agents, angiogenesis inhibitor ATTENUA, INC. 2006-11-02 US disclosed
US-20050255040-A1 3-Substituted-2(arylalkyl)-1-azabicycloalkanes and methods of use thereof ATTENUA, INC. 2005-11-17 US disclosed
EP-1594869-A2 3-SUBSTITUTED-2(ARYLALKYL)-1-AZABICYCLOALKANES AND METHODS OF USE THEREOF Targacept, Inc. (US) 2005-11-16 EP disclosed
US-6953855-B2 3-substituted-2(arylalkyl)-1-azabicycloalkanes and methods of use thereof TARGACEPT, INC. (US) 2005-10-11 US disclosed
WO-2004076449-A2 3-SUBSTITUTED-2(ARYLALKYL)-1-AZABICYCLOALKANES AND METHODS OF USE THEREOF TARGACEPT, INC. (US) 2004-09-10 WO disclosed
US-20040002513-A1 3-Substituted-2(arylalkyl)-1-azabicycloalkanes and methods of use thereof ATTENUA, INC. 2004-01-01 US disclosed
US-20030045523-A1 Nicotinic cholinergic receptor antagonists SCHMITT JEFFREY DANIEL (US) 2003-03-06 US disclosed
US-6432975-B1 AROMATIC ALKYLENE AZOBICYCLIC COMPOUNDS AS NICOTINIC RECEPTOR ANTAGONISTS; ANTIDEPRESSANTS; NERVOUS SYSTEM DISORDER TREATMENT TARGACEPT, INC. 2002-08-13 US disclosed
EP-1053236-A1 PYRDIYL-BRIIDGEHEAD DERIVATIVES AND THEIR ANALOGUES, PHARMACEUTICAL COMPOSITIONS AND THEIR USE AS INHIBITORS OF NICOTINIC CHOLINERGIC RECEPTORS R.J. REYNOLDS TOBACCO COMPANY (US) 2000-11-22 EP disclosed
WO-2000034276-A1 PYRIDYL-BRIDGEHEAD DERIVATIVES AND THEIR ANALOGUES, PHARMACEUTICAL COMPOSITIONS AND THEIR USE AS INHIBITORS OF NICOTINIC CHOLINERGIC RECEPTORS R.J. REYNOLDS TOBACCO COMPANY (US) 2000-06-15 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 (7 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-20030045523-A1 Nicotinic cholinergic receptor antagonists CHRNG, CHRNB1, CHRNA1 CHRNA7 11/4885CHRNB2 9/4885CHRNA4 13/4885
US-20110071189-A1 3-SUBSTITUTED-2(ARYLALKYL)-1-AZABICYCLOALKANES AND METHODS OF USE THEREOF CHRNA7, CHRNA3, CHRNA5 CHRNA7 1/4885CHRNB2 15/4885CHRNA4 10/4885
US-20060247270-A1 e.g. 2-((3-pyridinyl)methyl)-1-azabicyclo[2.2.2]oct-3-yl N-phenylcarbamate; nicotinic acetylcholine receptors alpha 7 (nAChRs)/neurotransmitter modulator; diagnostic radiolabel; central nervous systrem disorders, autoimmune diseases; antiinflammatory, antitumor agents, angiogenesis inhibitor CHRM1, CHRNA7, CHRM3 CHRNA7 2/4885CHRNB2 22/4885CHRNA4 16/4885
US-20120136024-A1 3-Substituted-2-(arlyalkyl)-1-azabicycloalkanes and Methods of Use Thereof CHRNA7, CHRNA1, CHRNA3 CHRNA7 1/4885CHRNB2 14/4885CHRNA4 11/4885
US-20110071188-A1 3-SUBSTITUTED-2(ARYLALKYL)-1-AZABICYCLOALKANES AND METHODS OF USE THEREOF CHRNA7, CHRNA5, CHRNA3 CHRNA7 1/4885CHRNB2 19/4885CHRNA4 11/4885
US-20040002513-A1 3-Substituted-2(arylalkyl)-1-azabicycloalkanes and methods of use thereof CHRNA7, CHRNA3, CHRNA1 CHRNA7 1/4885CHRNB2 14/4885CHRNA4 10/4885
US-20050255040-A1 3-Substituted-2(arylalkyl)-1-azabicycloalkanes and methods of use thereof CHRNA7, CHRNA3, CHRNA5 CHRNA7 1/4885CHRNB2 15/4885CHRNA4 10/4885

“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.