SCHEMBL373002

SCHEMBL373002

NC1C2CCN(CC2)C1Cc1cccnc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 13/20 1.00
CHRNB2 P17787 8/20 0.57
CHRNA4 P43681 8/20 0.57
CHRNB4 P30926 2/20 0.55
CHRNA3 P32297 2/20 0.55

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
SCHEMBL2539169 1.00 CHRNA7 (1.00) CHRNA7CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL2539170 1.00 CHRNA7 (1.00) CHRNA7CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL701081 1.00 CHRNA7 (1.00) CHRNA7CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL373233 1.00 CHRNA7 (1.00) CHRNA7CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL373186 1.00 CHRNA7 (1.00) CHRNA7CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL8511266 0.92 CHRNA7 (0.85) CHRNA7CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL701883 0.84 CHRNA7 (0.73) CHRNA7CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL699598 0.83 CHRNA7 (1.00) CHRNA7CHRNB2CHRNA4
SCHEMBL6155498 0.83 CHRNA7 (0.71) CHRNA7CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL700727 0.83 CHRNA7 (0.71) CHRNA7CHRNB2CHRNA4CHRNB4CHRNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2431037-B1 (2S,3R)-N-(2-((3-pyridinyl)methyl)-1-azabicyclo[2.2.2]oct-3-yl)benzofuran-2-carboxamide, novel salt forms, and methods of use thereof ATTENUA INC (US) 2016-11-30 EP disclosed
EP-2465501-B1 Method for the preparation of (2S,3R)-N-(2-((3-pyridinyl)methyl)-1-azabicyclo[2.2.2]oct-3-yl)benzofuran-2-carboxamide ATTENUA INC (US) 2016-10-05 EP disclosed
US-20150045386-A1 (2S,3R)-N-2-3-PYRIDINYLMETHYL-1-AZABICYCLO 2.2.2 OCT-3-YL BENZOFURAN-2-CARBOXAMIDE, NOVEL SALT FORMS, AND METHODS OF USE THEREOF ATTENUA, INC. 2015-02-12 US disclosed
US-8846715-B2 (2S,3R)-N-(2((3-pyridinyl)methyl)-1-azabicyclo[2.2.2]oct-3-yl)benzofuran-2-carboxamide novel salt forms, and methods of use thereof TARGACEPT, INC. (US) 2014-09-30 US disclosed
US-20140234270-A1 TREATMENT WTH ALPHAT SELECTIVE LIGANDS TARGACEPT, INC. (US) 2014-08-21 US disclosed
US-20140024638-A1 TREATMENT OF COGNITIVE DYSFUNCTION IN SCHIZOPHRENIA TARGACEPT, INC. (US) 2014-01-23 US disclosed
US-20140024673-A1 (2S,3R)-N-(2-((3-PYRIDINYL)METHYL)-1-AZABICYCLO[2.2.2]OCT-3-YL)BENZYOFURN-2-CARBOXAMIDE, NOVEL SALT FORMS, AND METHODS OF USE THEREOF TARGACEPT,INC. (US) 2014-01-23 US disclosed
EP-2665478-A1 TREATMENT OF COGNITIVE DYSFUNCTION IN SCHIZOPHRENIA Targacept, Inc. (US) 2013-11-27 EP disclosed
US-8541446-B2 (2S,3R)-N-(2-((3-pyridinyl)methyl)-1-azabicyclo[2.2.2]oct-3-yl)benzofurn-2-carboxamide, novel salt forms, and methods of use thereof TARGACEPT, INC. (US) 2013-09-24 US disclosed
US-8541447-B2 3-substituted-2-(arlyalkyl)-1-azabicycloalkanes and methods of use thereof TARGACEPT, INC. (US) 2013-09-24 US disclosed
WO-2009018505-A1 (2S,3R)-N-(2-((3-PYRIDINYL)METHYL)-1-AZABICYCLO[2.2.2]OCT-3-YL)BENZOFURAN-2-CARBOXAMIDE, NOVEL SALT FORMS, AND METHODS OF USE THEREOF TARGACEPT, INC. (US) 2009-02-05 WO disclosed
US-7425561-B2 3-substituted-2(arylalkyl)-1-azabicycloalkanes and methods of use thereof TARGACEPT, INC. (US) 2008-09-16 US disclosed
US-20080138287-A1 3-SUBSTITUTED-2(ARYLALKYL)-1- AZABICYCLOALKANES AND METHODS OF USE THEREOF ATTENUA, INC. 2008-06-12 US disclosed
EP-1594869-B1 3-SUBSTITUTED-2(ARYLALKYL)-1-AZABICYCLOALKANES AND METHODS OF USE THEREOF TARGACEPT INC (US) 2007-12-19 EP 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 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-20080138287-A1 3-SUBSTITUTED-2(ARYLALKYL)-1- AZABICYCLOALKANES AND METHODS OF USE THEREOF CHRNA7, CHRNA5, CHRNA3 CHRNA7 1/4885CHRNB2 16/4885CHRNA4 8/4885
US-20140234270-A1 TREATMENT WTH ALPHAT SELECTIVE LIGANDS CHRNA7, CHRNA2, CHRNA4 CHRNA7 1/4885CHRNB2 6/4885CHRNA4 3/4885
US-20140024673-A1 (2S,3R)-N-(2-((3-PYRIDINYL)METHYL)-1-AZABICYCLO[2.2.2]OCT-3-YL)BENZYOFURN-2-CARBOXAMIDE, NOVEL SALT FORMS, AND METHODS OF USE THEREOF HCN3, HCN2, HCN1 CHRNA7 39/4885CHRNB2 7/4885CHRNA4 23/4885
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-20150045386-A1 (2S,3R)-N-2-3-PYRIDINYLMETHYL-1-AZABICYCLO 2.2.2 OCT-3-YL BENZOFURAN-2-CARBOXAMIDE, NOVEL SALT FORMS, AND METHODS OF USE THEREOF HCN3, HCN2, NTSR2 CHRNA7 80/4885CHRNB2 12/4885CHRNA4 76/4885
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-20140024638-A1 TREATMENT OF COGNITIVE DYSFUNCTION IN SCHIZOPHRENIA GRIN2C, GRIN2A, CHAT CHRNA7 19/4885CHRNB2 15/4885CHRNA4 16/4885
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.