SCHEMBL1348694

SCHEMBL1348694

Clc1ccc(C=CC2CNC2)cn1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
NFE2L2 Q16236 6/20 0.40
CHRNB2 P17787 4/20 0.40
CHRNA4 P43681 4/20 0.40
CHRNB4 P30926 3/20 0.40
CHRNA3 P32297 3/20 0.40
CHRNA7 P36544 1/20 0.38

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
SCHEMBL1348691 1.00 NPC1 (0.41) NPC1HTTRAB9ANFE2L2CHRNB2
SCHEMBL1646633 0.89 CHRNB2 (0.39) NPC1HTTRAB9ANFE2L2CHRNB2
SCHEMBL1346243 0.88 CHRNA3 (0.43) NPC1HTTRAB9ANFE2L2CHRNB2
SCHEMBL1346242 0.88 CHRNA3 (0.43) NPC1HTTRAB9ANFE2L2CHRNB2
SCHEMBL1346240 0.88 CHRNA3 (0.43) NPC1HTTRAB9ANFE2L2CHRNB2
SCHEMBL1346246 0.88 CHRNA3 (0.43) NPC1HTTRAB9ANFE2L2CHRNB2
SCHEMBL1350168 0.85 KHK (0.42) NFE2L2CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL1350165 0.85 KHK (0.42) NFE2L2CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL1350166 0.85 KHK (0.42) NFE2L2CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL1350171 0.85 KHK (0.42) NFE2L2CHRNB2CHRNA4CHRNB4CHRNA3

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
EP-1947100-B1 Arylvinylazacycloalkane compounds and methods of preparation and use thereof TARGACEPT INC (US) 2011-07-27 EP claimed
JP-4663627-B2 2011-04-06 JP 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
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-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
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
EP-1601670-A1 ARYLVINYLAZACYCLOALKANE COMPOUNDS AND METHODS OF PREPARATION AND USE THEREOF Targacept Inc. (US) 2005-12-07 EP disclosed
WO-2004078752-A1 ARYLVINYLAZACYCLOALKANE COMPOUNDS AND METHODS OF PREPARATION AND USE THEREOF TARGACEPT INC. (US) 2004-09-16 WO 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 (4 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 NPC1 1654/4885HTT 556/4885RAB9A 1443/4885
US-20140107164-A1 ARYLVINYLAZACYCLOALKANE COMPOUNDS AND METHODS OF PREPARATION AND USE THEREOF CHRNA5, OPRK1, CHRNA6 NPC1 1654/4885HTT 556/4885RAB9A 1443/4885
US-20080293778-A1 Arylvinylazacycloalkane Compounds and Methods of Preparation and Use Thereof CHRNA5, OPRK1, CHRNA6 NPC1 1654/4885HTT 556/4885RAB9A 1443/4885
US-20150164894-A1 ARYLVINYLAZACYCLOALKANE COMPOUNDS AND METHODS OF PREPARATION AND USE THEREOF CHRNA5, OPRK1, CHRNA6 NPC1 1654/4885HTT 556/4885RAB9A 1443/4885

“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.