SCHEMBL1350171

SCHEMBL1350171

Clc1ccc(C=C[C@@H]2CCCNC2)cn1

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KHK P50053 1/20 0.42
CHRNA3 P32297 5/20 0.40
CHRNB2 P17787 3/20 0.39
CHRNB4 P30926 3/20 0.39
CHRNA4 P43681 3/20 0.39
NFE2L2 Q16236 1/20 0.38
CHRNA7 P36544 1/20 0.37

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
SCHEMBL1350166 1.00 KHK (0.42) KHKCHRNA3CHRNB2CHRNB4CHRNA4
SCHEMBL1350168 1.00 KHK (0.42) KHKCHRNA3CHRNB2CHRNB4CHRNA4
SCHEMBL1350165 1.00 KHK (0.42) KHKCHRNA3CHRNB2CHRNB4CHRNA4
SCHEMBL1346242 0.92 CHRNA3 (0.43) CHRNA3CHRNB2CHRNB4CHRNA4NFE2L2
SCHEMBL1346240 0.92 CHRNA3 (0.43) CHRNA3CHRNB2CHRNB4CHRNA4NFE2L2
SCHEMBL1346243 0.92 CHRNA3 (0.43) CHRNA3CHRNB2CHRNB4CHRNA4NFE2L2
SCHEMBL1346246 0.92 CHRNA3 (0.43) CHRNA3CHRNB2CHRNB4CHRNA4NFE2L2
SCHEMBL1348691 0.85 NPC1 (0.41) CHRNA3CHRNB2CHRNB4CHRNA4NFE2L2
SCHEMBL1348694 0.85 NPC1 (0.41) CHRNA3CHRNB2CHRNB4CHRNA4NFE2L2
SCHEMBL1348315 0.82 CHRNA3 (0.40) KHKCHRNA3CHRNB2CHRNB4CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8633222-B2 Arylvinylazacycloalkane compounds and methods of preparation and use thereof TARGACEPT, INC. (US) 2014-01-21 US claimed
EP-1947100-B1 Arylvinylazacycloalkane compounds and methods of preparation and use thereof TARGACEPT INC (US) 2011-07-27 EP claimed
US-20110152293-A1 ARYLVINYLAZACYCLOALKANE COMPOUNDS AND METHODS OF PREPARATION AND USE THEREOF TARGACEPT, INC. (US) 2011-06-23 US claimed
JP-4663627-B2 2011-04-06 JP claimed
US-20100010042-A1 ARYLVINYLAZACYCLOALKANE COMPOUNDS AND METHODS OF PREPARATION AND USE THEREOF TARGACEPT, INC. (US) 2010-01-14 US claimed
EP-1947100-A1 Arylvinylazacycloalkane compounds and methods of preparation and use thereof Targacept, Inc. (US) 2008-07-23 EP claimed
JP-2006519868-A 2006-08-31 JP claimed
US-20060094732-A1 Arylvinylazacycloalkane compounds and methods of preparation and use thereof SCHMITT JEFFREY D 2006-05-04 US 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
US-8067443-B2 Arylvinylazacycloalkane compounds and methods of preparation and use thereof TARGACEPT, INC. (US) 2011-11-29 US 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-20060094732-A1 Arylvinylazacycloalkane compounds and methods of preparation and use thereof SCHMITT JEFFREY D 2006-05-04 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 (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-20040176348-A1 Arylvinylazacycloalkane compounds and methods of preparation and use thereof CHRNA5, OPRK1, CHRNA6 KHK 1070/4885CHRNA3 9/4885CHRNB2 7/4885
US-20110152293-A1 ARYLVINYLAZACYCLOALKANE COMPOUNDS AND METHODS OF PREPARATION AND USE THEREOF CHRNA5, OPRK1, CHRNA6 KHK 1070/4885CHRNA3 9/4885CHRNB2 7/4885
US-20060094732-A1 Arylvinylazacycloalkane compounds and methods of preparation and use thereof CHRNA5, OPRK1, CHRNA6 KHK 1070/4885CHRNA3 9/4885CHRNB2 7/4885
US-20140107164-A1 ARYLVINYLAZACYCLOALKANE COMPOUNDS AND METHODS OF PREPARATION AND USE THEREOF CHRNA5, OPRK1, CHRNA6 KHK 1070/4885CHRNA3 9/4885CHRNB2 7/4885
US-20100010042-A1 ARYLVINYLAZACYCLOALKANE COMPOUNDS AND METHODS OF PREPARATION AND USE THEREOF CHRNA5, OPRK1, CHRNA6 KHK 1070/4885CHRNA3 9/4885CHRNB2 7/4885
US-20080293778-A1 Arylvinylazacycloalkane Compounds and Methods of Preparation and Use Thereof CHRNA5, OPRK1, CHRNA6 KHK 1070/4885CHRNA3 9/4885CHRNB2 7/4885
US-20150164894-A1 ARYLVINYLAZACYCLOALKANE COMPOUNDS AND METHODS OF PREPARATION AND USE THEREOF CHRNA5, OPRK1, CHRNA6 KHK 1070/4885CHRNA3 9/4885CHRNB2 7/4885

“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.