SCHEMBL372691

SCHEMBL372691

O=C(NC1C2CCN(CC2)C1Cc1cccnc1)c1ccc(F)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 13/20 1.00
CHRNA4 P43681 13/20 1.00
CHRNA7 P36544 12/20 1.00

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
SCHEMBL1741511 1.00 CHRNB2 (1.00) CHRNB2CHRNA4CHRNA7
Tc-6987 SCHEMBL29463329 0.91 CHRNB2 (0.85) CHRNB2CHRNA4CHRNA7
Tc-6987 SCHEMBL1460452 0.91 CHRNB2 (0.85) CHRNB2CHRNA4CHRNA7
Tc-6987 SCHEMBL1506803 0.91 CHRNB2 (0.85) CHRNB2CHRNA4CHRNA7
Tc-6987 SCHEMBL1459637 0.91 CHRNB2 (0.85) CHRNB2CHRNA4CHRNA7
Tc-6987 SCHEMBL1741518 0.91 CHRNB2 (0.85) CHRNB2CHRNA4CHRNA7
Tc-6987 SCHEMBL1742025 0.91 CHRNB2 (0.85) CHRNB2CHRNA4CHRNA7
Tc-6987 SCHEMBL29463330 0.91 CHRNB2 (0.85) CHRNB2CHRNA4CHRNA7
SCHEMBL373001 0.91 CHRNB2 (1.00) CHRNB2CHRNA4CHRNA7
SCHEMBL24156940 0.90 CHRNB2 (0.83) CHRNB2CHRNA4CHRNA7

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
EP-2633868-A1 COMBINATION OF ALPHA 7 NICOTINIC AGONISTS AND ANTIPSYCHOTICS Targacept, Inc. (US) 2013-09-04 EP claimed
US-20110059947-A1 ALPHA 7 NICOTINIC AGONISTS AND ANTIPSYCHOTICS TARGACEPT, INC. (US) 2011-03-10 US claimed
EP-2254598-A2 ALPHA 7 NICOTINIC AGONISTS AND ANTIPSYCHOTICS Targacept Inc. (US) 2010-12-01 EP claimed
WO-2009102962-A2 COMBINATION OF ALPHA 7 NICOTINIC AGONISTS AND ANTIPSYCHOTICS TARGACEPT, INC. (US) 2009-08-20 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-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-20150105421-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. 2015-04-16 US disclosed
US-8901151-B2 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) 2014-12-02 US disclosed
EP-2389378-B1 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) 2014-06-25 EP disclosed
US-20140163065-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) 2014-06-12 US disclosed
EP-2633868-A1 COMBINATION OF ALPHA 7 NICOTINIC AGONISTS AND ANTIPSYCHOTICS Targacept, Inc. (US) 2013-09-04 EP disclosed
US-8476296-B2 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) 2013-07-02 US disclosed
EP-2254598-A2 ALPHA 7 NICOTINIC AGONISTS AND ANTIPSYCHOTICS Targacept Inc. (US) 2010-12-01 EP 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
WO-2009102962-A2 COMBINATION OF ALPHA 7 NICOTINIC AGONISTS AND ANTIPSYCHOTICS TARGACEPT, INC. (US) 2009-08-20 WO disclosed
EP-1594869-B9 3-SUBSTITUTED-2(ARYLALKYL)-1-AZABICYCLOALKANES AND METHODS OF USE THEREOF TARGACEPT INC (US) 2009-04-01 EP disclosed
WO-2009018511-A2 ALPHA7 NACHR AGONISTS FOR TREATING OR PREVENTING METABOLIC DISORDERS TARGACEPT, INC. (US) 2009-02-05 WO disclosed
EP-1594869-B1 3-SUBSTITUTED-2(ARYLALKYL)-1-AZABICYCLOALKANES AND METHODS OF USE THEREOF TARGACEPT INC (US) 2007-12-19 EP 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 (4 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-20110059947-A1 ALPHA 7 NICOTINIC AGONISTS AND ANTIPSYCHOTICS CHRNA7, CHRNA5, CHRNA4 CHRNB2 14/4885CHRNA4 3/4885CHRNA7 1/4885
US-20150105421-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 CHRNB2 3/4885CHRNA4 7/4885CHRNA7 9/4885
US-20140163065-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 CHRNB2 3/4885CHRNA4 7/4885CHRNA7 9/4885
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 CHRNB2 3/4885CHRNA4 7/4885CHRNA7 9/4885

“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.