SCHEMBL703829

SCHEMBL703829

O=C1/C(=C/c2cccnc2)N2CCC1C2

nearest known ligand 0.85

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.85
ALDH1A1 P00352 7/20 0.58
KDM4E B2RXH2 2/20 0.58
CHRNB2 P17787 1/20 0.52
CHRNB4 P30926 1/20 0.52
CHRNA3 P32297 1/20 0.52
CHRNA4 P43681 1/20 0.52
THRB P10828 1/20 0.46
MAPT P10636 7/20 0.46
MAPK1 P28482 4/20 0.45
LMNA P02545 4/20 0.44
GAA P10253 1/20 0.44
HTT P42858 3/20 0.44
RAB9A P51151 3/20 0.44
MITF O75030 2/20 0.44
ATM Q13315 2/20 0.44
NPC1 O15118 1/20 0.44
NSD2 O96028 1/20 0.44
HPGD P15428 2/20 0.42

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
SCHEMBL703830 1.00 SMN1; SMN2 (0.85) SMN1; SMN2ALDH1A1KDM4ECHRNB2CHRNB4
SCHEMBL372885 0.92 SMN1; SMN2 (1.00) SMN1; SMN2ALDH1A1KDM4ECHRNB2CHRNB4
SCHEMBL372886 0.92 SMN1; SMN2 (1.00) SMN1; SMN2ALDH1A1KDM4ECHRNB2CHRNB4
SCHEMBL13732440 0.92 SMN1; SMN2 (1.00) SMN1; SMN2ALDH1A1KDM4ECHRNB2CHRNB4
Potassium Ion SCHEMBL3805984 0.89 SMN1; SMN2 (0.95) SMN1; SMN2ALDH1A1KDM4ECHRNB2CHRNB4
SCHEMBL5082405 0.83 ALDH1A1 (0.59) SMN1; SMN2ALDH1A1KDM4ECHRNB2CHRNB4
SCHEMBL5082412 0.83 ALDH1A1 (0.59) SMN1; SMN2ALDH1A1KDM4ECHRNB2CHRNB4
SCHEMBL702722 0.82 SMN1; SMN2 (0.61) SMN1; SMN2ALDH1A1KDM4ECHRNB2CHRNB4
SCHEMBL702723 0.82 SMN1; SMN2 (0.61) SMN1; SMN2ALDH1A1KDM4ECHRNB2CHRNB4
SCHEMBL6152811 0.77 SMN1; SMN2 (0.70) SMN1; SMN2ALDH1A1KDM4ECHRNB2CHRNB4

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-8124620-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-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
EP-1594869-B9 3-SUBSTITUTED-2(ARYLALKYL)-1-AZABICYCLOALKANES AND METHODS OF USE THEREOF TARGACEPT INC (US) 2009-04-01 EP 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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 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 SMN1; SMN2 3222/4885ALDH1A1 882/4885KDM4E 1934/4885
US-20080138287-A1 3-SUBSTITUTED-2(ARYLALKYL)-1- AZABICYCLOALKANES AND METHODS OF USE THEREOF CHRNA7, CHRNA5, CHRNA3 SMN1; SMN2 3054/4885ALDH1A1 880/4885KDM4E 1568/4885
US-20030045523-A1 Nicotinic cholinergic receptor antagonists CHRNG, CHRNB1, CHRNA1 SMN1; SMN2 2009/4885ALDH1A1 1668/4885KDM4E 1520/4885
US-20110071189-A1 3-SUBSTITUTED-2(ARYLALKYL)-1-AZABICYCLOALKANES AND METHODS OF USE THEREOF CHRNA7, CHRNA3, CHRNA5 SMN1; SMN2 3222/4885ALDH1A1 882/4885KDM4E 1934/4885
US-20120136024-A1 3-Substituted-2-(arlyalkyl)-1-azabicycloalkanes and Methods of Use Thereof CHRNA7, CHRNA1, CHRNA3 SMN1; SMN2 3105/4885ALDH1A1 671/4885KDM4E 1572/4885
US-20040002513-A1 3-Substituted-2(arylalkyl)-1-azabicycloalkanes and methods of use thereof CHRNA7, CHRNA3, CHRNA1 SMN1; SMN2 3112/4885ALDH1A1 1036/4885KDM4E 1804/4885
US-20050255040-A1 3-Substituted-2(arylalkyl)-1-azabicycloalkanes and methods of use thereof CHRNA7, CHRNA3, CHRNA5 SMN1; SMN2 3222/4885ALDH1A1 882/4885KDM4E 1934/4885

“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.