SCHEMBL1998981

SCHEMBL1998981

O=c1cc(O)ccn1CCCCCl

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.41
DRD3 P35462 1/20 0.41
MAPK14 Q16539 1/20 0.36
KDR P35968 1/20 0.35
ADORA2B P29275 1/20 0.35
HSD17B13 Q7Z5P4 4/20 0.33
TNF P01375 1/20 0.32
MCHR1 Q99705 3/20 0.32
HTR1A P08908 1/20 0.32
HTR7 P34969 1/20 0.32
GPR84 Q9NQS5 1/20 0.31
CDK4 P11802 1/20 0.31
CCND1 P24385 1/20 0.31
ACACB O00763 1/20 0.30

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
SCHEMBL30910238 0.83 GPR84 (0.47) DRD2DRD3GPR84ACACB
SCHEMBL1996584 0.81 L3MBTL1 (0.36) DRD2DRD3MAPK14KDRADORA2B
SCHEMBL1033958 0.81 TYR (0.46) DRD2DRD3HSD17B13TNFGPR84
SCHEMBL1130169 0.79 DRD2 (0.42) DRD2DRD3MAPK14KDRADORA2B
SCHEMBL8229121 0.77 TYR (0.43) DRD2DRD3HSD17B13MCHR1GPR84
SCHEMBL1998193 0.76 KDR (0.52) DRD2DRD3MAPK14KDRHTR1A
SCHEMBL2001744 0.76 DRD2 (0.47) DRD2DRD3
SCHEMBL7640918 0.73 KAT2B (0.48) DRD2DRD3MAPK14TNF
SCHEMBL5005631 0.72 ACACB (0.44) DRD2DRD3KDRHSD17B13MCHR1
SCHEMBL1038378 0.72 GRM2 (0.41)

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 DRD2 2/4885DRD3 1/4885MAPK14 2395/4885
US-20080261992-A1 Pyridin-2-One Compounds and Their Use as Modulators of the Dopamine D3 Receptor DRD3, DRD2, MTNR1A DRD2 2/4885DRD3 1/4885MAPK14 2698/4885

“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.