SCHEMBL1997416

SCHEMBL1997416

O=c1c(C(F)(F)F)cccn1CCCCCl

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.50
DRD2 P14416 3/20 0.47
DRD3 P35462 3/20 0.47
KDM4E B2RXH2 4/20 0.46
RXFP1 Q9HBX9 2/20 0.39
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 2/20 0.36
HTT P42858 2/20 0.36
ADORA2B P29275 1/20 0.35
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
TSHR P16473 1/20 0.34
CA2 P00918 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRK1 P41145 1/20 0.33
TLR8 Q9NR97 1/20 0.33

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
SCHEMBL20224820 0.89 MAPT (0.54) MAPTDRD2DRD3KDM4ERXFP1
SCHEMBL3388058 0.83 MAPT (0.48) MAPTDRD2DRD3KDM4ERXFP1
SCHEMBL13460189 0.82 MAPT (0.48) MAPTDRD2DRD3KDM4ERXFP1
SCHEMBL17848670 0.79 MAPT (0.50) MAPTDRD2DRD3KDM4ERXFP1
SCHEMBL26817055 0.76 MAPT (0.54) MAPTDRD2DRD3KDM4ERXFP1
SCHEMBL5162285 0.76 MAPT (0.48) MAPTDRD2DRD3KDM4ERXFP1
SCHEMBL5162281 0.76 MAPT (0.48) MAPTDRD2DRD3KDM4ERXFP1
SCHEMBL4058639 0.76 MAPT (0.48) MAPTDRD2DRD3KDM4ERXFP1
SCHEMBL12859678 0.76 PARP1 (0.40) MAPTKDM4ESMN1; SMN2ADORA2BALDH1A1
SCHEMBL1130229 0.76 PKM (0.46) MAPTDRD2DRD3POLBADORA2B

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 MAPT 774/4885DRD2 2/4885DRD3 1/4885
US-20080261992-A1 Pyridin-2-One Compounds and Their Use as Modulators of the Dopamine D3 Receptor DRD3, DRD2, MTNR1A MAPT 726/4885DRD2 2/4885DRD3 1/4885

“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.