SCHEMBL714927

SCHEMBL714927

CCCCCCC1C(O)C2CCN1CC2

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LSS P48449 2/20 0.41
GBA1 P04062 4/20 0.41
GNAI3 P08754 3/20 0.39
GNAO1 P09471 3/20 0.39
GNAI1 P63096 3/20 0.39
CHRNA7 P36544 1/20 0.37
GUSB P08236 3/20 0.37
SPHK1 Q9NYA1 4/20 0.37
SPHK2 Q9NRA0 3/20 0.37
EPHX1 P07099 1/20 0.36

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
SCHEMBL714926 1.00 LSS (0.41) LSSGBA1GNAI3GNAO1GNAI1
SCHEMBL714925 1.00 LSS (0.41) LSSGBA1GNAI3GNAO1GNAI1
SCHEMBL9667433 0.78 CHRNA7 (0.39) CHRNA7
SCHEMBL8522542 0.76 CHRNA7 (0.38) LSSGNAI3GNAO1GNAI1CHRNA7
SCHEMBL17351135 0.69 GBA1 (0.49) LSSGBA1GNAI3GNAO1GNAI1
SCHEMBL1862738 0.69 CHRNA7 (0.42) GBA1CHRNA7
Hydrochloric Acid SCHEMBL1014986 0.67 CHRNA7 (0.41) CHRNA7
SCHEMBL6331713 0.66 ALOX5 (0.47) GBA1GUSBSPHK1SPHK2EPHX1
SCHEMBL6401737 0.66 ALOX5 (0.47) GBA1GUSBSPHK1SPHK2EPHX1
SCHEMBL6325194 0.66 ALOX5 (0.47) GBA1GUSBSPHK1SPHK2EPHX1

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 26 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-20110071187-A1 3-SUBSTITUTED-2(ARYLALKYL)-1-AZABICYCLOALKANES AND METHODS OF USE THEREOF TARGACEPT, INC. (US) 2011-03-24 US disclosed
US-7687630-B2 Method for producing optically active quinuclidinols having one or more substituted groups at the 2-position KANTO KAGAKU KABUSHIKI KAISHA (JP) 2010-03-30 US disclosed
EP-1594869-B9 3-SUBSTITUTED-2(ARYLALKYL)-1-AZABICYCLOALKANES AND METHODS OF USE THEREOF TARGACEPT INC (US) 2009-04-01 EP 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
US-20080081911-A1 Method for producing optically active quinuclidinols having one or more substituted groups at the 2-position KANTO KAGAKU KABUSHIKI KAISHA (JP) 2008-04-03 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
US-6953855-B2 3-substituted-2(arylalkyl)-1-azabicycloalkanes and methods of use thereof TARGACEPT, INC. (US) 2005-10-11 US 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-20080081911-A1 Method for producing optically active quinuclidinols having one or more substituted groups at the 2-position NQO1, SQLE, NQO2 LSS 14/4885GBA1 289/4885GNAI3 170/4885
US-20110071187-A1 3-SUBSTITUTED-2(ARYLALKYL)-1-AZABICYCLOALKANES AND METHODS OF USE THEREOF CHRNA7, CHRNA3, CHRNA5 LSS 3912/4885GBA1 1398/4885GNAI3 1925/4885
US-20080138287-A1 3-SUBSTITUTED-2(ARYLALKYL)-1- AZABICYCLOALKANES AND METHODS OF USE THEREOF CHRNA7, CHRNA5, CHRNA3 LSS 3807/4885GBA1 1368/4885GNAI3 2117/4885
US-20110071189-A1 3-SUBSTITUTED-2(ARYLALKYL)-1-AZABICYCLOALKANES AND METHODS OF USE THEREOF CHRNA7, CHRNA3, CHRNA5 LSS 3912/4885GBA1 1398/4885GNAI3 1925/4885
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 LSS 3191/4885GBA1 1380/4885GNAI3 2454/4885
US-20120136024-A1 3-Substituted-2-(arlyalkyl)-1-azabicycloalkanes and Methods of Use Thereof CHRNA7, CHRNA1, CHRNA3 LSS 4009/4885GBA1 1633/4885GNAI3 1883/4885
US-20040002513-A1 3-Substituted-2(arylalkyl)-1-azabicycloalkanes and methods of use thereof CHRNA7, CHRNA3, CHRNA1 LSS 3871/4885GBA1 1629/4885GNAI3 2142/4885
US-20050255040-A1 3-Substituted-2(arylalkyl)-1-azabicycloalkanes and methods of use thereof CHRNA7, CHRNA3, CHRNA5 LSS 3912/4885GBA1 1398/4885GNAI3 1925/4885

“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.