SCHEMBL699428

SCHEMBL699428

OC(c1cccnc1)C1CC2CCN1CC2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 4/20 0.50
CHRNB2 P17787 2/20 0.50
CHRNA4 P43681 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.42
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
CYP17A1 P05093 4/20 0.38
CYP19A1 P11511 3/20 0.38
CFTR P13569 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
GOPC Q9HD26 1/20 0.38
GAA P10253 1/20 0.37
TSHR P16473 1/20 0.37
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
OPRK1 P41145 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
SCHEMBL701677 0.81 CHRNA7 (0.49) CHRNA7CHRNB2CHRNA4SMN1; SMN2CFTR
SCHEMBL7484792 0.79 CHRNA7 (0.47) CHRNA7CHRNB2CHRNA4SMN1; SMN2CYP1A2
SCHEMBL699738 0.76 CHRNA7 (0.57) CHRNA7CHRNB2CHRNA4
SCHEMBL7045626 0.76 CHRNA7 (0.50) CHRNA7CHRNB2CHRNA4CYP1A2CYP3A4
SCHEMBL7045512 0.74 CHRNA7 (0.48) CHRNA7CHRNB2CHRNA4GAA
SCHEMBL30896272 0.74 SMN1; SMN2 (0.53) SMN1; SMN2CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL8795521 0.74 SMN1; SMN2 (0.53) SMN1; SMN2CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL3585696 0.72 HTR2A (0.44) CYP2D6
SCHEMBL13391060 0.72 KDM4E (0.45) SMN1; SMN2CYP1A2CYP3A4CYP2D6TSHR
SCHEMBL5230465 0.71 FAAH (0.43) SMN1; SMN2CYP1A2CYP3A4CYP2D6CYP2C19

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 24 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-8124619-B2 3-substituted-2(arylalkyl)-1-azabicycloalkanes and methods of use thereof TARGACEPT, INC. (US) 2012-02-28 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-8084462-B2 3-substituted-2(arylalkyl)-1-azabicycloalkanes and methods of use thereof TARGACEPT, INC. (US) 2011-12-27 US disclosed
US-20110071188-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-20100240696-A1 3-SUBSTITUTED-2(ARYLALKYL)-1-AZABICYCLOALKANES AND METHODS OF USE THEREOF TARGACEPT, INC. (US) 2010-09-23 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
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-20110071187-A1 3-SUBSTITUTED-2(ARYLALKYL)-1-AZABICYCLOALKANES AND METHODS OF USE THEREOF CHRNA7, CHRNA3, CHRNA5 CHRNA7 1/4885CHRNB2 15/4885CHRNA4 10/4885
US-20100240696-A1 3-SUBSTITUTED-2(ARYLALKYL)-1-AZABICYCLOALKANES AND METHODS OF USE THEREOF CHRNA7, CHRNA3, CHRNA5 CHRNA7 1/4885CHRNB2 15/4885CHRNA4 10/4885
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-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-20120136024-A1 3-Substituted-2-(arlyalkyl)-1-azabicycloalkanes and Methods of Use Thereof CHRNA7, CHRNA1, CHRNA3 CHRNA7 1/4885CHRNB2 14/4885CHRNA4 11/4885
US-20110071188-A1 3-SUBSTITUTED-2(ARYLALKYL)-1-AZABICYCLOALKANES AND METHODS OF USE THEREOF CHRNA7, CHRNA5, CHRNA3 CHRNA7 1/4885CHRNB2 19/4885CHRNA4 11/4885
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.