SCHEMBL1349017

SCHEMBL1349017

CN1CCC(/C=C/c2cncc(Oc3ccccc3)c2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 5/20 0.50
CHRNB4 P30926 5/20 0.50
CHRNA3 P32297 5/20 0.50
CHRNB1 P11230 4/20 0.50
CHRNB3 Q05901 4/20 0.50
CHRNA7 P36544 1/20 0.42
CHRNA4 P43681 1/20 0.42
HRH3 Q9Y5N1 3/20 0.39
MAOA P21397 2/20 0.38
MAOB P27338 1/20 0.38
SCN1A P35498 1/20 0.38
SCN2A Q99250 1/20 0.38
SCN3A Q9NY46 1/20 0.38
JAK2 O60674 1/20 0.36
ROCK2 O75116 1/20 0.36
MAP4K4 O95819 1/20 0.36
PRKACA P17612 1/20 0.36
ROCK1 Q13464 1/20 0.36
DYRK1A Q13627 1/20 0.36
NTRK3 Q16288 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
SCHEMBL1349020 1.00 CHRNB2 (0.50) CHRNB2CHRNB4CHRNA3CHRNB1CHRNB3
SCHEMBL6229240 0.93 CHRNB2 (0.45) CHRNB2CHRNB4CHRNA3CHRNB1CHRNB3
SCHEMBL1349928 0.87 CHRNB2 (0.48) CHRNB2CHRNB4CHRNA3CHRNB1CHRNB3
SCHEMBL1349931 0.87 CHRNB2 (0.48) CHRNB2CHRNB4CHRNA3CHRNB1CHRNB3
SCHEMBL1347306 0.86 CHRNB2 (0.52) CHRNB2CHRNB4CHRNA3CHRNB1CHRNB3
SCHEMBL1347312 0.86 CHRNB2 (0.52) CHRNB2CHRNB4CHRNA3CHRNB1CHRNB3
SCHEMBL1347308 0.86 CHRNB2 (0.52) CHRNB2CHRNB4CHRNA3CHRNB1CHRNB3
SCHEMBL1347304 0.86 CHRNB2 (0.52) CHRNB2CHRNB4CHRNA3CHRNB1CHRNB3
SCHEMBL4752858 0.83 CHRNB2 (0.42) CHRNB2CHRNB4CHRNA3CHRNB1CHRNB3
SCHEMBL4752857 0.83 CHRNB2 (0.42) CHRNB2CHRNB4CHRNA3CHRNB1CHRNB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4663627-B2 2011-04-06 JP claimed
JP-2006519868-A 2006-08-31 JP claimed
EP-1601670-A1 ARYLVINYLAZACYCLOALKANE COMPOUNDS AND METHODS OF PREPARATION AND USE THEREOF Targacept Inc. (US) 2005-12-07 EP claimed
WO-2004078752-A1 ARYLVINYLAZACYCLOALKANE COMPOUNDS AND METHODS OF PREPARATION AND USE THEREOF TARGACEPT INC. (US) 2004-09-16 WO claimed
US-20040176348-A1 Arylvinylazacycloalkane compounds and methods of preparation and use thereof AVENTIS PHARMA S.A. 2004-09-09 US claimed
US-20150164894-A1 ARYLVINYLAZACYCLOALKANE COMPOUNDS AND METHODS OF PREPARATION AND USE THEREOF TARGACEPT, INC. 2015-06-18 US disclosed
US-20140107164-A1 ARYLVINYLAZACYCLOALKANE COMPOUNDS AND METHODS OF PREPARATION AND USE THEREOF TARGACEPT, INC. (US) 2014-04-17 US disclosed
US-8633222-B2 Arylvinylazacycloalkane compounds and methods of preparation and use thereof TARGACEPT, INC. (US) 2014-01-21 US disclosed
CN-101550132-B Arylvinylazacycloalkane compounds and methods of preparation and use thereof TARGACEPT INC 2012-03-28 CN disclosed
US-8067443-B2 Arylvinylazacycloalkane compounds and methods of preparation and use thereof TARGACEPT, INC. (US) 2011-11-29 US disclosed
US-8063068-B2 Arylvinylazacycloalkane compounds and methods of preparation and use thereof TARGACEPT, INC. (US) 2011-11-22 US disclosed
EP-1947100-B1 Arylvinylazacycloalkane compounds and methods of preparation and use thereof TARGACEPT INC (US) 2011-07-27 EP disclosed
US-20100267776-A1 ARYLVINYLAZACYCLOALKANE COMPOUNDS AND METHODS OF PREPARATION AND USE THEREOF TARGACEPT, INC. (US) 2010-10-21 US disclosed
US-7714001-B2 Arylvinylazacycloalkane compounds and methods of preparation and use thereof TARGACEPT, INC. (US) 2010-05-11 US disclosed
US-20100010042-A1 ARYLVINYLAZACYCLOALKANE COMPOUNDS AND METHODS OF PREPARATION AND USE THEREOF TARGACEPT, INC. (US) 2010-01-14 US disclosed
EP-2085395-A1 Arylvinylazacycloalkane compounds and methods of preparation and use thereof Targacept, Inc. (US) 2009-08-05 EP disclosed
US-20080293778-A1 Arylvinylazacycloalkane Compounds and Methods of Preparation and Use Thereof TARGACEPT, INC. (US) 2008-11-27 US disclosed
EP-1947100-A1 Arylvinylazacycloalkane compounds and methods of preparation and use thereof Targacept, Inc. (US) 2008-07-23 EP disclosed
US-7098331-B2 Arylvinylazacycloalkane compounds and methods of preparation and use thereof TARGACEPT, INC. (US) 2006-08-29 US disclosed
US-20040176348-A1 Arylvinylazacycloalkane compounds and methods of preparation and use thereof AVENTIS PHARMA S.A. 2004-09-09 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 (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-20040176348-A1 Arylvinylazacycloalkane compounds and methods of preparation and use thereof CHRNA5, OPRK1, CHRNA6 CHRNB2 7/4885CHRNB4 15/4885CHRNA3 9/4885
US-20140107164-A1 ARYLVINYLAZACYCLOALKANE COMPOUNDS AND METHODS OF PREPARATION AND USE THEREOF CHRNA5, OPRK1, CHRNA6 CHRNB2 7/4885CHRNB4 15/4885CHRNA3 9/4885
US-20100010042-A1 ARYLVINYLAZACYCLOALKANE COMPOUNDS AND METHODS OF PREPARATION AND USE THEREOF CHRNA5, OPRK1, CHRNA6 CHRNB2 7/4885CHRNB4 15/4885CHRNA3 9/4885
US-20080293778-A1 Arylvinylazacycloalkane Compounds and Methods of Preparation and Use Thereof CHRNA5, OPRK1, CHRNA6 CHRNB2 7/4885CHRNB4 15/4885CHRNA3 9/4885
US-20150164894-A1 ARYLVINYLAZACYCLOALKANE COMPOUNDS AND METHODS OF PREPARATION AND USE THEREOF CHRNA5, OPRK1, CHRNA6 CHRNB2 7/4885CHRNB4 15/4885CHRNA3 9/4885
US-20100267776-A1 ARYLVINYLAZACYCLOALKANE COMPOUNDS AND METHODS OF PREPARATION AND USE THEREOF CHRNA5, OPRK1, CHRNA6 CHRNB2 7/4885CHRNB4 15/4885CHRNA3 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.