SCHEMBL1998193

SCHEMBL1998193

O=c1cc(-c2ccccc2)ccn1CCCCCl

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDR P35968 8/20 0.52
HTR1A P08908 4/20 0.45
HTR7 P34969 4/20 0.45
DRD2 P14416 1/20 0.44
DRD3 P35462 1/20 0.44
FLT1 P17948 2/20 0.44
FLT4 P35916 2/20 0.44
ADORA2A P29274 1/20 0.43
GLO1 Q04760 2/20 0.41
MAPK14 Q16539 1/20 0.39

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
SCHEMBL28510082 0.83 GLO1 (0.51) KDRDRD2DRD3FLT1FLT4
SCHEMBL1996584 0.77 L3MBTL1 (0.36) KDRHTR1AHTR7DRD2DRD3
SCHEMBL1998981 0.76 DRD2 (0.41) KDRHTR1AHTR7DRD2DRD3
SCHEMBL1130169 0.76 DRD2 (0.42) KDRDRD2DRD3MAPK14
SCHEMBL28854410 0.74 PTGIR (0.41) HTR1AHTR7GLO1
SCHEMBL28954517 0.73 PTGIR (0.43) HTR1AHTR7
SCHEMBL591990 0.73 DRD2 (0.47) KDRHTR1AHTR7DRD2DRD3
SCHEMBL23531483 0.72 KDM4E (0.38) HTR1AHTR7
SCHEMBL2001744 0.72 DRD2 (0.47) DRD2DRD3
SCHEMBL23617959 0.71 CYP2C19 (0.45) KDRDRD2DRD3ADORA2AGLO1

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 7 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-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-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-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 (2 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 KDR 620/4885HTR1A 28/4885HTR7 165/4885
US-20080261992-A1 Pyridin-2-One Compounds and Their Use as Modulators of the Dopamine D3 Receptor DRD3, DRD2, MTNR1A KDR 551/4885HTR1A 29/4885HTR7 158/4885

“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.