SCHEMBL373233

SCHEMBL373233

N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1

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
SCHEMBL373002 1.00 CHRNA7 (1.00) CHRNA7CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL701081 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 65 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2465501-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 preparation Targacept Inc. (US) 2012-06-20 EP claimed
US-8119659-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) 2012-02-21 US claimed
US-20110263859-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) 2011-10-27 US claimed
EP-2182949-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) 2010-05-12 EP claimed
US-20090048290-A1 2S,3R)-N-(2-((3-PYRIDINYL)METHYL)-1-AZABICYCLO[2.2.2]OCT-3-YL-BENZYOFURAN-2-CARBOXAMIDE, NOVEL SALT FORMS, AND METHODS OF USE THEREOF TRAMES BIO, INC. 2009-02-19 US claimed
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 claimed
US-20170119746-A1 PREPARATION AND THERAPEUTIC APPLICATIONS OF (2S,3R)-N-2-((3-PYRIDINYL)METHYL)-1-AZABICYCLO[2.2.2]OCT-3-YL)-3,5-DIFLUOROBENZAMIDE ATTENUA, INC. 2017-05-04 US disclosed
US-20170119746-A1 PREPARATION AND THERAPEUTIC APPLICATIONS OF (2S,3R)-N-2-((3-PYRIDINYL)METHYL)-1-AZABICYCLO[2.2.2]OCT-3-YL)-3,5-DIFLUOROBENZAMIDE ATTENUA, INC. 2017-05-04 US disclosed
US-20170119746-A1 PREPARATION AND THERAPEUTIC APPLICATIONS OF (2S,3R)-N-2-((3-PYRIDINYL)METHYL)-1-AZABICYCLO[2.2.2]OCT-3-YL)-3,5-DIFLUOROBENZAMIDE ATTENUA, INC. 2017-05-04 US disclosed
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-9173876-B2 Preparation and therapeutic applications of (2S,3R)-N-2-((3-pyridinyl)methyl)-1-azabicyclo[2.2.2]oct-3-yl)-3,5-difluorobenzamide ATTENUA, INC. 2015-11-03 US disclosed
US-9173876-B2 Preparation and therapeutic applications of (2S,3R)-N-2-((3-pyridinyl)methyl)-1-azabicyclo[2.2.2]oct-3-yl)-3,5-difluorobenzamide ATTENUA, INC. 2015-11-03 US disclosed
WO-2010085724-A1 PREPARATION AND THERAPEUTIC APPLICATIONS OF (2S,3R)-N-2-((3-PYRIDINYL)METHYL)-1-AZABICYCLO[2.2.2]OCT-3-YL)-3,5-DIFLUOROBENZAMIDE TARGACEPT, INC. (US) 2010-07-29 WO disclosed
WO-2010056622-A1 TREATMENT WITH ALPHA α7-SELECTIVE LIGANDS TARGACEPT, INC. (US) 2010-05-20 WO disclosed
EP-2185152-A2 ALPHA7 NACHR AGONISTS FOR TREATING OR PREVENTING METABOLIC DISORDERS Targacept Inc. (US) 2010-05-19 EP disclosed
EP-2182949-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) 2010-05-12 EP disclosed
US-20090048290-A1 2S,3R)-N-(2-((3-PYRIDINYL)METHYL)-1-AZABICYCLO[2.2.2]OCT-3-YL-BENZYOFURAN-2-CARBOXAMIDE, NOVEL SALT FORMS, AND METHODS OF USE THEREOF TRAMES BIO, INC. 2009-02-19 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
WO-2009018511-A2 ALPHA7 NACHR AGONISTS FOR TREATING OR PREVENTING METABOLIC DISORDERS TARGACEPT, INC. (US) 2009-02-05 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-20090048290-A1 2S,3R)-N-(2-((3-PYRIDINYL)METHYL)-1-AZABICYCLO[2.2.2]OCT-3-YL-BENZYOFURAN-2-CARBOXAMIDE, NOVEL SALT FORMS, AND METHODS OF USE THEREOF HCN3, HCN2, NTSR2 CHRNA7 61/4885CHRNB2 7/4885CHRNA4 59/4885
US-20110263859-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 HCN3, NTSR2, HCN2 CHRNA7 63/4885CHRNB2 7/4885CHRNA4 59/4885
US-20170119746-A1 PREPARATION AND THERAPEUTIC APPLICATIONS OF (2S,3R)-N-2-((3-PYRIDINYL)METHYL)-1-AZABICYCLO[2.2.2]OCT-3-YL)-3,5-DIFLUOROBENZAMIDE CHRNA2, CHRNA3, CHRNB2 CHRNA7 9/4885CHRNB2 3/4885CHRNA4 7/4885

“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.