SCHEMBL4685459

SCHEMBL4685459

O=C(NCCO)c1ccc2c(c1)CN(C(=O)CCCCCN1CCN(c3cccc(C(F)(F)F)c3)CC1)C2

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 12/20 0.63
DRD3 P35462 11/20 0.63
ADRA1A P35348 3/20 0.63
HTR2A P28223 4/20 0.52
HTR1A P08908 3/20 0.52
HTR2C P28335 2/20 0.52
DRD4 P21917 1/20 0.49
NAMPT P43490 1/20 0.48
DRD5 P21918 2/20 0.47
SLC6A4 P31645 1/20 0.47
LMNA P02545 1/20 0.47
TP53 P04637 1/20 0.47
MAPT P10636 1/20 0.47
HTR7 P34969 1/20 0.47

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
SCHEMBL4689185 0.93 DRD2 (0.62) DRD2DRD3ADRA1AHTR2AHTR1A
SCHEMBL4684210 0.91 DRD2 (0.59) DRD2DRD3ADRA1AHTR2AHTR1A
SCHEMBL4688108 0.88 DRD2 (0.55) DRD2DRD3ADRA1AHTR2AHTR1A
SCHEMBL4684447 0.87 DRD2 (0.54) DRD2DRD3ADRA1AHTR2AHTR1A
SCHEMBL4684299 0.87 DRD2 (0.54) DRD2DRD3ADRA1AHTR2ADRD5
SCHEMBL4683575 0.87 DRD2 (0.53) DRD2DRD3ADRA1AHTR2AHTR1A
Hydrochloric Acid SCHEMBL4690031 0.86 DRD2 (0.53) DRD2DRD3ADRA1AHTR2AHTR1A
SCHEMBL4687609 0.86 DRD2 (0.52) DRD2DRD3ADRA1ADRD5LMNA
SCHEMBL4686307 0.85 DRD2 (0.51) DRD2DRD3ADRA1ADRD5LMNA
SCHEMBL4687021 0.85 DRD2 (0.63) DRD2DRD3ADRA1AHTR2AHTR1A

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080214542-A1 Arylpiperazine Derivatives and their Use as Selective Dopamine D3 Receptor Ligands BIOPROJET (FR) 2008-09-04 US claimed
EP-1828125-B1 ARYLPIPERAZINE DERIVATIVES AND THEIR USE AS LIGANGS SELECTIVE OF THE DOPAMINE D3 RECEPTOR BIOPROJET SOC CIV (FR) 2008-04-09 EP claimed
EP-1828125-A1 ARYLPIPERAZINE DERIVATIVES AND THEIR USE AS LIGANGS SELECTIVE OF THE DOPAMINE D3 RECEPTOR BIOPROJET (FR) 2007-09-05 EP claimed
WO-2006058993-A1 ARYLPIPERAZINE DERIVATIVES AND THEIR USE AS LIGANDS SELECTIVE OF THE DOPAMINE D3 RECEPTOR BIOPROJET (FR) 2006-06-08 WO claimed
US-20080214542-A1 Arylpiperazine Derivatives and their Use as Selective Dopamine D3 Receptor Ligands BIOPROJET (FR) 2008-09-04 US disclosed
US-20080214542-A1 Arylpiperazine Derivatives and their Use as Selective Dopamine D3 Receptor Ligands BIOPROJET (FR) 2008-09-04 US disclosed
US-20080214542-A1 Arylpiperazine Derivatives and their Use as Selective Dopamine D3 Receptor Ligands BIOPROJET (FR) 2008-09-04 US disclosed
EP-1828125-B1 ARYLPIPERAZINE DERIVATIVES AND THEIR USE AS LIGANGS SELECTIVE OF THE DOPAMINE D3 RECEPTOR BIOPROJET SOC CIV (FR) 2008-04-09 EP disclosed
EP-1828125-B1 ARYLPIPERAZINE DERIVATIVES AND THEIR USE AS LIGANGS SELECTIVE OF THE DOPAMINE D3 RECEPTOR BIOPROJET SOC CIV (FR) 2008-04-09 EP disclosed
EP-1828125-A1 ARYLPIPERAZINE DERIVATIVES AND THEIR USE AS LIGANGS SELECTIVE OF THE DOPAMINE D3 RECEPTOR BIOPROJET (FR) 2007-09-05 EP disclosed
WO-2006058993-A1 ARYLPIPERAZINE DERIVATIVES AND THEIR USE AS LIGANDS SELECTIVE OF THE DOPAMINE D3 RECEPTOR BIOPROJET (FR) 2006-06-08 WO disclosed
WO-2006058993-A1 ARYLPIPERAZINE DERIVATIVES AND THEIR USE AS LIGANDS SELECTIVE OF THE DOPAMINE D3 RECEPTOR BIOPROJET (FR) 2006-06-08 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 (1 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-20080214542-A1 Arylpiperazine Derivatives and their Use as Selective Dopamine D3 Receptor Ligands SLC6A3, ADRB3, PRLHR DRD2 8/4885DRD3 4/4885ADRA1A 57/4885

“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.