SCHEMBL1129892

SCHEMBL1129892

COc1cccn(CCCCCl)c1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.44
DRD3 P35462 2/20 0.44
LMNA P02545 1/20 0.39
ALDH1A1 P00352 4/20 0.39
ADORA2B P29275 1/20 0.38
TNF P01375 2/20 0.38
HTR1A P08908 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
GRM2 Q14416 1/20 0.38
PTGER3 P43115 1/20 0.38
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
MAPT P10636 2/20 0.36
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36
POLB P06746 1/20 0.36
ALOX15 P16050 1/20 0.36
RECQL P46063 1/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL216346 0.84 CNR2 (0.46) DRD2DRD3ALDH1A1TNFNPC1
SCHEMBL7256324 0.81 TNF (0.46) DRD2DRD3LMNAALDH1A1TNF
SCHEMBL16509712 0.80 NPC1 (0.53) DRD2DRD3LMNAALDH1A1TNF
SCHEMBL7256567 0.79 TNF (0.45) DRD2DRD3LMNAALDH1A1TNF
SCHEMBL1130229 0.79 PKM (0.46) DRD2DRD3ADORA2BTNFPTGER3
SCHEMBL7261808 0.78 DRD2 (0.40) DRD2DRD3ALDH1A1TNFNPC1
SCHEMBL14328188 0.77 DRD2 (0.40) DRD2DRD3LMNAALDH1A1TNF
SCHEMBL11824740 0.76 ALDH1A1 (0.44) DRD2DRD3LMNAALDH1A1NPC1
SCHEMBL13222875 0.76 TNF (0.47) LMNATNFGRM2HDAC6
SCHEMBL12859678 0.76 PARP1 (0.40) ALDH1A1ADORA2BRAB9AMAPTHDAC3

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
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
US-7928108-B2 Pyridinone derivative for the treatment of premature ejaculation GLAXO GROUP LIMITED (GB) 2011-04-19 US disclosed
US-7928108-B2 Pyridinone derivative for the treatment of premature ejaculation GLAXO GROUP LIMITED (GB) 2011-04-19 US disclosed
US-7928108-B2 Pyridinone derivative for the treatment of premature ejaculation GLAXO GROUP LIMITED (GB) 2011-04-19 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-2129669-A1 PYRIDINONE DERIVATIVE FOR THE TREATMENT OF PREMATURE EJACULATION Glaxo Group Limited (GB) 2009-12-09 EP 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-2008122561-A1 PYRIDINONE DERIVATIVE FOR THE TREATMENT OF PREMATURE EJACULATION GLAXO GROUP LIMITED (GB) 2008-10-16 WO disclosed
WO-2008122561-A1 PYRIDINONE DERIVATIVE FOR THE TREATMENT OF PREMATURE EJACULATION GLAXO GROUP LIMITED (GB) 2008-10-16 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
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 1/4885LMNA 4673/4885
US-20080261992-A1 Pyridin-2-One Compounds and Their Use as Modulators of the Dopamine D3 Receptor DRD3, DRD2, MTNR1A DRD2 2/4885DRD3 1/4885LMNA 4597/4885
US-20100063097-A1 Azabicyclo [3.1.0] Hexane Derivatives as Modulators of Dopamine D3 Receptors DRD3, DRD2, DRD1 DRD2 2/4885DRD3 1/4885LMNA 4820/4885

“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.