SCHEMBL372987

SCHEMBL372987

O=C1C2CCN(CC2)C1Cc1cccnc1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 9/20 0.56
CHRNB2 P17787 4/20 0.56
CHRNA4 P43681 4/20 0.56
LMNA P02545 1/20 0.53
CTSK P43235 1/20 0.52
ALDH1A1 P00352 1/20 0.51
POLB P06746 1/20 0.51
GLA P06280 1/20 0.51
CYP2D6 P10635 1/20 0.48
GAA P10253 1/20 0.45
PKM P14618 1/20 0.45
HIF1A Q16665 1/20 0.45

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
SCHEMBL372881 1.00 CHRNA7 (0.56) CHRNA7CHRNB2CHRNA4LMNACTSK
SCHEMBL31375366 1.00 CHRNA7 (0.56) CHRNA7CHRNB2CHRNA4LMNACTSK
Hydrochloric Acid SCHEMBL373321 0.99 LMNA (0.55) CHRNA7CHRNB2CHRNA4LMNACTSK
SCHEMBL7043759 0.92 CHRNA7 (0.53) CHRNA7CHRNB2CHRNA4LMNACTSK
SCHEMBL701090 0.86 CHRNA7 (0.47) CHRNA7CHRNB2CHRNA4LMNACTSK
SCHEMBL7043317 0.84 CHRNA7 (0.45) CHRNA7CHRNB2CHRNA4LMNAALDH1A1
SCHEMBL6152811 0.84 SMN1; SMN2 (0.70) CHRNA7CHRNB2CHRNA4LMNACTSK
SCHEMBL6152809 0.84 SMN1; SMN2 (0.70) CHRNA7CHRNB2CHRNA4LMNACTSK
SCHEMBL700513 0.83 CHRNA7 (0.56) CHRNA7CHRNB2CHRNA4
SCHEMBL7042267 0.83 TDP1 (0.44) CHRNA7CHRNB2CHRNA4ALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-6432975-B1 AROMATIC ALKYLENE AZOBICYCLIC COMPOUNDS AS NICOTINIC RECEPTOR ANTAGONISTS; ANTIDEPRESSANTS; NERVOUS SYSTEM DISORDER TREATMENT TARGACEPT, INC. 2002-08-13 US claimed
WO-2023213740-A1 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS PHILIP MORRIS PRODUCTS S.A. (CH) 2023-11-09 WO disclosed
WO-2023213740-A1 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS PHILIP MORRIS PRODUCTS S.A. (CH) 2023-11-09 WO disclosed
US-10059704-B2 1,4-disubstituted 1,2,3-triazoles, methods for preparing same, and diagnostic and therapeutic uses thereof CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2018-08-28 US disclosed
EP-2699570-B1 1,4-DISUBSTITUTED 1,2,3-TRIAZOLES, THEIR PREPARATION PROCESSES AND THEIR DIAGNOSTIC AND THERAPEUTIC USES CENTRE NAT RECH SCIENT (FR) 2018-08-22 EP 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-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-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 (6 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-10059704-B2 1,4-disubstituted 1,2,3-triazoles, methods for preparing same, and diagnostic and therapeutic uses thereof CYP3A43, NAT1, UGT1A1 CHRNA7 750/4885CHRNB2 1237/4885CHRNA4 1279/4885
US-20030045523-A1 Nicotinic cholinergic receptor antagonists CHRNG, CHRNB1, CHRNA1 CHRNA7 11/4885CHRNB2 9/4885CHRNA4 13/4885
US-20140234270-A1 TREATMENT WTH ALPHAT SELECTIVE LIGANDS CHRNA7, CHRNA2, CHRNA4 CHRNA7 1/4885CHRNB2 6/4885CHRNA4 3/4885
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-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.