SCHEMBL2001016

SCHEMBL2001016

CC(C)c1cc(N2CCNCC2)nc(C(C)(C)C)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 1/20 0.44
CASP4 P49662 1/20 0.44
CASP5 P51878 1/20 0.44
HRH4 Q9H3N8 8/20 0.43
ADRB1 P08588 1/20 0.40
NCF1 P14598 1/20 0.40
HRH3 Q9Y5N1 6/20 0.38
DRD2 P14416 1/20 0.36
HTR6 P50406 1/20 0.36
ALDH1A1 P00352 2/20 0.36
HTR3E A5X5Y0 1/20 0.36
HTR3B O95264 1/20 0.36
HTR3A P46098 1/20 0.36
HTR3D Q70Z44 1/20 0.36
HTR3C Q8WXA8 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
HTR1A P08908 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
SCHEMBL1764194 0.87 CASP1 (0.43) CASP1CASP4CASP5HRH4ADRB1
SCHEMBL14702329 0.80 CASP1 (0.47) CASP1CASP4CASP5HRH4ADRB1
SCHEMBL2349531 0.80 HRH4 (0.48) CASP1CASP4CASP5HRH4ADRB1
SCHEMBL3296377 0.80 CASP1 (0.47) CASP1CASP4CASP5HRH4ADRB1
SCHEMBL605092 0.79 HRH4 (0.66) CASP1CASP4CASP5HRH4HRH3
SCHEMBL1045813 0.77 DRD2 (0.50) DRD2
SCHEMBL2346634 0.75 HRH4 (0.57) CASP1CASP4CASP5HRH4ADRB1
SCHEMBL1763839 0.74 CASP1 (0.42) CASP1CASP4CASP5HRH4ADRB1
SCHEMBL4390504 0.74 CASP1 (0.42) CASP1CASP4CASP5HRH4ADRB1
SCHEMBL15661790 0.73 CASP1 (0.41) CASP1CASP4CASP5HRH4ADRB1

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 13 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-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-8008488-B2 Pyrimidin-2-one compounds and their use as dopamine D3 receptor ligands ABBOTT GMBH & CO. KG (DE) 2011-08-30 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-7723384-B2 Keto lactam compounds and use thereof ABBOTT GMBH & CO. KG. (DE) 2010-05-25 US 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
EP-1692129-B1 KETO LACTAM COMPOUNDS AND USE THEREOF ABBOTT GMBH & CO KG (DE) 2008-08-20 EP disclosed
EP-1601659-B1 PYRIMIDIN-2-ONE COMPOUNDS AND THEIR USE AS DOPAMINE D3 RECEPTOR LIGANDS ABBOTT GMBH & CO KG (DE) 2008-01-16 EP disclosed
US-20070219182-A1 Keto Lactam Compounds and Use Thereof ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2007-09-20 US 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
US-20060235004-A1 Pyrimidin-2-one compounds and their use as dopamine d3 receptor ligands ABBOT GMBH & CO. KG (DE) 2006-10-19 US 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 (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-20110245266-A1 PYRIDIN-2-ONE COMPOUNDS AND THEIR USE AS MODULATORS OF THE DOPAMINE D3 RECEPTOR DRD3, DRD2, PTGDR CASP1 3913/4885CASP4 4218/4885CASP5 4183/4885
US-20080261992-A1 Pyridin-2-One Compounds and Their Use as Modulators of the Dopamine D3 Receptor DRD3, DRD2, MTNR1A CASP1 3690/4885CASP4 4205/4885CASP5 4227/4885
US-20060235004-A1 Pyrimidin-2-one compounds and their use as dopamine d3 receptor ligands ADRB3, DRD3, OPRL1 CASP1 4620/4885CASP4 4773/4885CASP5 4559/4885
US-20070219182-A1 Keto Lactam Compounds and Use Thereof OPRD1, DRD3, OPRK1 CASP1 1709/4885CASP4 3673/4885CASP5 3731/4885

“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.