SCHEMBL1031139

SCHEMBL1031139

CC(C)(C)OC(=O)N1CCCC1/C=C/c1cncnc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.42
ALDH1A1 P00352 2/20 0.41
LMNA P02545 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
MEN1 O00255 1/20 0.41
TSHR P16473 1/20 0.41
KMT2A Q03164 1/20 0.41
NPC1 O15118 2/20 0.40
UCHL1 P09936 4/20 0.40
GPR119 Q8TDV5 1/20 0.40
USP30 Q70CQ3 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
POLB P06746 1/20 0.38
KDM4E B2RXH2 1/20 0.37
RAB9A P51151 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
SCHEMBL2370262 1.00 HSD17B10 (0.42) HSD17B10ALDH1A1LMNAL3MBTL1MEN1
SCHEMBL2370668 1.00 HSD17B10 (0.42) HSD17B10ALDH1A1LMNAL3MBTL1MEN1
SCHEMBL1031142 1.00 HSD17B10 (0.42) HSD17B10ALDH1A1LMNAL3MBTL1MEN1
SCHEMBL2370251 1.00 HSD17B10 (0.42) HSD17B10ALDH1A1LMNAL3MBTL1MEN1
SCHEMBL2370658 1.00 HSD17B10 (0.42) HSD17B10ALDH1A1LMNAL3MBTL1MEN1
SCHEMBL5849203 0.86 GPR119 (0.47) HSD17B10ALDH1A1LMNAL3MBTL1MEN1
SCHEMBL7487281 0.86 GPR119 (0.47) HSD17B10ALDH1A1LMNAL3MBTL1MEN1
SCHEMBL5849057 0.86 GPR119 (0.47) HSD17B10ALDH1A1LMNAL3MBTL1MEN1
SCHEMBL5849198 0.86 GPR119 (0.47) HSD17B10ALDH1A1LMNAL3MBTL1MEN1
SCHEMBL6012032 0.82 MEN1 (0.53) HSD17B10ALDH1A1LMNAL3MBTL1MEN1

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
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-20130237550-A1 ARYLVINYLAZACYCLOALKANE COMPOUNDS FOR CONSTIPATION TARGACEPT, INC. (US) 2013-09-12 US disclosed
EP-2544690-A2 ARYLVINYLAZACYCLOALKANE COMPOUNDS FOR CONSTIPATION Targacept Inc. (US) 2013-01-16 EP 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
WO-2011112428-A2 ARYLVINYLAZACYCLOALKANE COMPOUNDS FOR CONSTIPATION TARGACEPT, INC. (US) 2011-09-15 WO 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
EP-2085395-A1 Arylvinylazacycloalkane compounds and methods of preparation and use thereof Targacept, Inc. (US) 2009-08-05 EP disclosed
WO-2008157365-A2 VINYLAZACYCLOALKANES FOR TREATING NEUROPATHIC PAIN TARGACEPT, INC. (US) 2008-12-24 WO 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
EP-1601670-B1 ARYLVINYLAZACYCLOALKANE COMPOUNDS AND METHODS OF PREPARATION AND USE THEREOF TARGACEPT INC (US) 2008-05-07 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
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 (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 HSD17B10 1505/4885ALDH1A1 678/4885LMNA 3246/4885
US-20110152293-A1 ARYLVINYLAZACYCLOALKANE COMPOUNDS AND METHODS OF PREPARATION AND USE THEREOF CHRNA5, OPRK1, CHRNA6 HSD17B10 1505/4885ALDH1A1 678/4885LMNA 3246/4885
US-20060094732-A1 Arylvinylazacycloalkane compounds and methods of preparation and use thereof CHRNA5, OPRK1, CHRNA6 HSD17B10 1505/4885ALDH1A1 678/4885LMNA 3246/4885
US-20140107164-A1 ARYLVINYLAZACYCLOALKANE COMPOUNDS AND METHODS OF PREPARATION AND USE THEREOF CHRNA5, OPRK1, CHRNA6 HSD17B10 1505/4885ALDH1A1 678/4885LMNA 3246/4885
US-20080293778-A1 Arylvinylazacycloalkane Compounds and Methods of Preparation and Use Thereof CHRNA5, OPRK1, CHRNA6 HSD17B10 1505/4885ALDH1A1 678/4885LMNA 3246/4885
US-20150164894-A1 ARYLVINYLAZACYCLOALKANE COMPOUNDS AND METHODS OF PREPARATION AND USE THEREOF CHRNA5, OPRK1, CHRNA6 HSD17B10 1505/4885ALDH1A1 678/4885LMNA 3246/4885
US-20130237550-A1 ARYLVINYLAZACYCLOALKANE COMPOUNDS FOR CONSTIPATION SLC10A2, MLNR, VIP HSD17B10 2348/4885ALDH1A1 1001/4885LMNA 4487/4885

“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.