SCHEMBL1349388

SCHEMBL1349388

CN1CC(/C=C/c2ccc(Cl)nc2)C1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRNA3 P32297 3/20 0.41
CHRNB2 P17787 3/20 0.41
CHRNA4 P43681 3/20 0.41
CHRNB4 P30926 2/20 0.41
CHRNA7 P36544 1/20 0.41
NFE2L2 Q16236 4/20 0.38
NPC1 O15118 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 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
SCHEMBL1349390 1.00 CHRNA3 (0.41) CHRNA3CHRNB2CHRNA4CHRNB4CHRNA7
SCHEMBL1646633 0.92 CHRNB2 (0.39) CHRNA3CHRNB2CHRNA4CHRNB4CHRNA7
SCHEMBL1349658 0.88 CHRNA3 (0.40) CHRNA3CHRNB2CHRNA4CHRNB4
SCHEMBL1349655 0.88 CHRNA3 (0.40) CHRNA3CHRNB2CHRNA4CHRNB4
SCHEMBL1349661 0.88 CHRNA3 (0.40) CHRNA3CHRNB2CHRNA4CHRNB4
SCHEMBL1349660 0.88 CHRNA3 (0.40) CHRNA3CHRNB2CHRNA4CHRNB4
SCHEMBL1350466 0.86 CHRNA3 (0.42) CHRNA3CHRNB2CHRNA4CHRNB4
SCHEMBL1350467 0.86 CHRNA3 (0.42) CHRNA3CHRNB2CHRNA4CHRNB4
SCHEMBL1350465 0.86 CHRNA3 (0.42) CHRNA3CHRNB2CHRNA4CHRNB4
SCHEMBL1350470 0.86 CHRNA3 (0.42) CHRNA3CHRNB2CHRNA4CHRNB4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1756754-A Arylvinylazacycloalkane compounds, and preparation method and application thereof TARGACEPT INC (US) 2006-04-05 CN 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-20110152293-A1 ARYLVINYLAZACYCLOALKANE COMPOUNDS AND METHODS OF PREPARATION AND USE THEREOF TARGACEPT, INC. (US) 2011-06-23 US disclosed
US-20100267776-A1 ARYLVINYLAZACYCLOALKANE COMPOUNDS AND METHODS OF PREPARATION AND USE THEREOF TARGACEPT, INC. (US) 2010-10-21 US disclosed
CN-101550132-A Arylvinylazacycloalkane compounds and methods of preparation and use thereof TARGACEPT INC (US) 2009-10-07 CN disclosed
CN-100526308-C Arylvinylazacycloalkane compounds, and preparation method and application thereof TARGACEPT INC (US) 2009-08-12 CN 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
CN-101255155-A Arylvinylazacycloalkane compounds and methods of preparation and use thereof TARGACEPT INC (US) 2008-09-03 CN 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
CN-1756754-A Arylvinylazacycloalkane compounds, and preparation method and application thereof TARGACEPT INC (US) 2006-04-05 CN 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 CHRNA3 9/4885CHRNB2 7/4885CHRNA4 10/4885
US-20110152293-A1 ARYLVINYLAZACYCLOALKANE COMPOUNDS AND METHODS OF PREPARATION AND USE THEREOF CHRNA5, OPRK1, CHRNA6 CHRNA3 9/4885CHRNB2 7/4885CHRNA4 10/4885
US-20140107164-A1 ARYLVINYLAZACYCLOALKANE COMPOUNDS AND METHODS OF PREPARATION AND USE THEREOF CHRNA5, OPRK1, CHRNA6 CHRNA3 9/4885CHRNB2 7/4885CHRNA4 10/4885
US-20080293778-A1 Arylvinylazacycloalkane Compounds and Methods of Preparation and Use Thereof CHRNA5, OPRK1, CHRNA6 CHRNA3 9/4885CHRNB2 7/4885CHRNA4 10/4885
US-20150164894-A1 ARYLVINYLAZACYCLOALKANE COMPOUNDS AND METHODS OF PREPARATION AND USE THEREOF CHRNA5, OPRK1, CHRNA6 CHRNA3 9/4885CHRNB2 7/4885CHRNA4 10/4885
US-20100267776-A1 ARYLVINYLAZACYCLOALKANE COMPOUNDS AND METHODS OF PREPARATION AND USE THEREOF CHRNA5, OPRK1, CHRNA6 CHRNA3 9/4885CHRNB2 7/4885CHRNA4 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.