SCHEMBL1348587

SCHEMBL1348587

C(=CC1CCCNC1)c1cncc(OCC2CC2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 4/20 0.49
CHUK O15111 1/20 0.41
DYRK3 O43781 1/20 0.41
ROCK2 O75116 1/20 0.41
MAP4K4 O95819 1/20 0.41
PIM1 P11309 1/20 0.41
PRKACA P17612 1/20 0.41
RPS6KB1 P23443 1/20 0.41
CLK2 P49760 1/20 0.41
PRKX P51817 1/20 0.41
PRKG2 Q13237 1/20 0.41
ROCK1 Q13464 1/20 0.41
DYRK1A Q13627 1/20 0.41
PRKG1 Q13976 1/20 0.41
PKN2 Q16513 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
CHRNB4 P30926 3/20 0.40
CHRNA3 P32297 3/20 0.40
CHRNB2 P17787 3/20 0.40
CHRNB1 P11230 2/20 0.40

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
SCHEMBL1348584 1.00 AKT1 (0.49) AKT1CHUKDYRK3ROCK2MAP4K4
SCHEMBL1348589 1.00 AKT1 (0.49) AKT1CHUKDYRK3ROCK2MAP4K4
SCHEMBL1348585 1.00 AKT1 (0.49) AKT1CHUKDYRK3ROCK2MAP4K4
SCHEMBL1349726 0.93 AKT1 (0.48) AKT1CHUKDYRK3ROCK2MAP4K4
SCHEMBL1349728 0.93 AKT1 (0.48) AKT1CHUKDYRK3ROCK2MAP4K4
SCHEMBL1349727 0.93 AKT1 (0.48) AKT1CHUKDYRK3ROCK2MAP4K4
SCHEMBL1349731 0.93 AKT1 (0.48) AKT1CHUKDYRK3ROCK2MAP4K4
SCHEMBL1347039 0.89 AKT1 (0.48) AKT1CHUKDYRK3ROCK2MAP4K4
SCHEMBL1347036 0.89 AKT1 (0.48) AKT1CHUKDYRK3ROCK2MAP4K4
SCHEMBL2214139 0.88 AKT1 (0.42) AKT1CHUKDYRK3ROCK2MAP4K4

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 27 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
US-8063068-B2 Arylvinylazacycloalkane compounds and methods of preparation and use thereof TARGACEPT, INC. (US) 2011-11-22 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
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
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 AKT1 2130/4885CHUK 853/4885DYRK3 1898/4885
US-20110152293-A1 ARYLVINYLAZACYCLOALKANE COMPOUNDS AND METHODS OF PREPARATION AND USE THEREOF CHRNA5, OPRK1, CHRNA6 AKT1 2130/4885CHUK 853/4885DYRK3 1898/4885
US-20060094732-A1 Arylvinylazacycloalkane compounds and methods of preparation and use thereof CHRNA5, OPRK1, CHRNA6 AKT1 2130/4885CHUK 853/4885DYRK3 1898/4885
US-20140107164-A1 ARYLVINYLAZACYCLOALKANE COMPOUNDS AND METHODS OF PREPARATION AND USE THEREOF CHRNA5, OPRK1, CHRNA6 AKT1 2130/4885CHUK 853/4885DYRK3 1898/4885
US-20100010042-A1 ARYLVINYLAZACYCLOALKANE COMPOUNDS AND METHODS OF PREPARATION AND USE THEREOF CHRNA5, OPRK1, CHRNA6 AKT1 2130/4885CHUK 853/4885DYRK3 1898/4885
US-20080293778-A1 Arylvinylazacycloalkane Compounds and Methods of Preparation and Use Thereof CHRNA5, OPRK1, CHRNA6 AKT1 2130/4885CHUK 853/4885DYRK3 1898/4885
US-20150164894-A1 ARYLVINYLAZACYCLOALKANE COMPOUNDS AND METHODS OF PREPARATION AND USE THEREOF CHRNA5, OPRK1, CHRNA6 AKT1 2130/4885CHUK 853/4885DYRK3 1898/4885

“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.