SCHEMBL1130169

SCHEMBL1130169

Cc1ccn(CCCCCl)c(=O)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.42
DRD3 P35462 1/20 0.42
ADORA2B P29275 2/20 0.38
KDM4E B2RXH2 4/20 0.34
ALDH1A1 P00352 2/20 0.34
HTT P42858 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MAPT P10636 2/20 0.33
TP53 P04637 1/20 0.33
LMNA P02545 2/20 0.33
TNF P01375 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ATM Q13315 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KDR P35968 1/20 0.33
MAPK14 Q16539 1/20 0.33
APOBEC3A P31941 1/20 0.32
APOBEC3G Q9HC16 1/20 0.32

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
SCHEMBL29161584 0.83 DRD2 (0.42) DRD2DRD3KDM4EALDH1A1HTT
SCHEMBL17390794 0.83 DRD2 (0.42) DRD2DRD3KDM4EALDH1A1HTT
SCHEMBL1346009 0.82 TYR (0.44) DRD2DRD3KDM4EALDH1A1HTT
SCHEMBL1996584 0.81 L3MBTL1 (0.36) DRD2DRD3ADORA2BL3MBTL1KDR
SCHEMBL1998981 0.79 DRD2 (0.41) DRD2DRD3ADORA2BTNFKDR
SCHEMBL17563249 0.78 TYR (0.41) DRD2DRD3KDM4EALDH1A1TP53
SCHEMBL25997240 0.78 TERT (0.42) DRD2DRD3ALDH1A1MAPTTP53
SCHEMBL18914245 0.77 ALDH1A1 (0.39) DRD2DRD3KDM4EALDH1A1MEN1
SCHEMBL21241923 0.77 DRD2 (0.37) DRD2DRD3KDM4EALDH1A1APOBEC3A
SCHEMBL17390546 0.76 DRD2 (0.39) DRD2DRD3KDM4EALDH1A1HTT

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1763522-B1 PYRIDIN-2-ONE COMPOUNDS AND THEIR USE AS MODULATORS OF THE DOPAMINE D3 RECEPTOR ABBOTT GMBH & CO KG (DE) 2013-03-20 EP disclosed
US-8334289-B2 Pyridin-2-one compounds and their use as modulators of the dopamine D3 receptor ABBOTT GMBH & CO. KG (DE) 2012-12-18 US disclosed
US-8163927-B2 Azabicyclo [3.1.0] hexane derivatives as modulators of dopamine D3 receptors GLAXO GROUP LIMITED (GB) 2012-04-24 US disclosed
US-8163927-B2 Azabicyclo [3.1.0] hexane derivatives as modulators of dopamine D3 receptors GLAXO GROUP LIMITED (GB) 2012-04-24 US disclosed
US-8163927-B2 Azabicyclo [3.1.0] hexane derivatives as modulators of dopamine D3 receptors GLAXO GROUP LIMITED (GB) 2012-04-24 US disclosed
US-20110245266-A1 PYRIDIN-2-ONE COMPOUNDS AND THEIR USE AS MODULATORS OF THE DOPAMINE D3 RECEPTOR ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2011-10-06 US disclosed
US-7960386-B2 1-(4-{4-[2-tert-Butyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl}butyl)-4-methylpyridin-2(1H)-one; treatment of schizophrenia and/or depression ABBOTT GMBH & CO. KG (DE) 2011-06-14 US disclosed
EP-2010518-B1 AZABICYCLO [3. 1. O] HEXANE DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS GLAXO GROUP LTD (GB) 2011-02-16 EP disclosed
EP-2010518-B1 AZABICYCLO [3. 1. O] HEXANE DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS GLAXO GROUP LTD (GB) 2011-02-16 EP disclosed
US-20100063097-A1 Azabicyclo [3.1.0] Hexane Derivatives as Modulators of Dopamine D3 Receptors GLAXO GROUP LIMITED 2010-03-11 US disclosed
US-20100063097-A1 Azabicyclo [3.1.0] Hexane Derivatives as Modulators of Dopamine D3 Receptors GLAXO GROUP LIMITED 2010-03-11 US disclosed
US-20100063097-A1 Azabicyclo [3.1.0] Hexane Derivatives as Modulators of Dopamine D3 Receptors GLAXO GROUP LIMITED 2010-03-11 US disclosed
EP-2010518-A1 AZABICYCLO [3. 1. O] HEXANE DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS GLAXO GROUP LIMITED (GB) 2009-01-07 EP disclosed
US-20080261992-A1 Pyridin-2-One Compounds and Their Use as Modulators of the Dopamine D3 Receptor ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2008-10-23 US disclosed
WO-2007113258-A1 AZABICYCLO [3. 1. O] HEXANE DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS GLAXO GROUP LIMITED (GB) 2007-10-11 WO disclosed
WO-2007113258-A1 AZABICYCLO [3. 1. O] HEXANE DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS GLAXO GROUP LIMITED (GB) 2007-10-11 WO disclosed
EP-1763522-A1 PYRIDIN-2-ONE COMPOUNDS AND THEIR USE AS MODULATORS OF THE DOPAMINE D3 RECEPTOR Abbott GmbH & Co. KG (DE) 2007-03-21 EP disclosed
WO-2005118571-A1 PYRIDIN-2-ONE COMPOUNDS AND THEIR USE AS MODULATORS OF THE DOPAMINE D3 RECEPTOR ABBOTT GMBH & CO. KG (DE) 2005-12-15 WO 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 (3 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-20110245266-A1 PYRIDIN-2-ONE COMPOUNDS AND THEIR USE AS MODULATORS OF THE DOPAMINE D3 RECEPTOR DRD3, DRD2, PTGDR DRD2 2/4885DRD3 1/4885ADORA2B 143/4885
US-20080261992-A1 Pyridin-2-One Compounds and Their Use as Modulators of the Dopamine D3 Receptor DRD3, DRD2, MTNR1A DRD2 2/4885DRD3 1/4885ADORA2B 172/4885
US-20100063097-A1 Azabicyclo [3.1.0] Hexane Derivatives as Modulators of Dopamine D3 Receptors DRD3, DRD2, DRD1 DRD2 2/4885DRD3 1/4885ADORA2B 1528/4885

“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.