SCHEMBL4684307

SCHEMBL4684307

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

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 6/20 0.52
DRD2 P14416 5/20 0.52
DRD3 P35462 4/20 0.52
DRD5 P21918 2/20 0.51
TP53 P04637 3/20 0.50
MAPT P10636 3/20 0.50
LMNA P02545 2/20 0.50
SIGMAR1 Q99720 1/20 0.50
ADRA1A P35348 1/20 0.49
GAA P10253 1/20 0.49
MAPK1 P28482 1/20 0.49
HTT P42858 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
HTR2A P28223 2/20 0.48
HTR1A P08908 1/20 0.48
HTR6 P50406 1/20 0.48

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
SCHEMBL4687021 0.89 DRD2 (0.63) HTR7DRD2DRD3DRD5TP53
SCHEMBL4688657 0.88 HTR7 (0.55) HTR7DRD2DRD3DRD5TP53
SCHEMBL4684376 0.88 DRD2 (0.55) HTR7DRD2DRD3DRD5TP53
Hydrochloric Acid SCHEMBL4685542 0.88 DRD2 (0.62) HTR7DRD2DRD3DRD5TP53
SCHEMBL4684299 0.88 DRD2 (0.54) HTR7DRD2DRD3DRD5TP53
SCHEMBL14079327 0.87 MAPT (0.54) HTR7DRD2DRD3DRD5TP53
SCHEMBL4687730 0.87 HTR2A (0.57) HTR7DRD2DRD3TP53MAPT
SCHEMBL4689618 0.86 SIGMAR1 (0.53) HTR7DRD2DRD3DRD5TP53
SCHEMBL4688108 0.86 DRD2 (0.55) HTR7DRD2DRD3DRD5TP53
SCHEMBL4689869 0.86 DRD2 (0.51) HTR7DRD2DRD3DRD5TP53

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 HTR7 39/4885DRD2 8/4885DRD3 4/4885

“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.