SCHEMBL4683531

SCHEMBL4683531

O=C(CCCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1)N1Cc2ccc(OCCN3CCCCC3)cc2C1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 7/20 0.55
MGLL Q99685 2/20 0.55
ABHD6 Q9BV23 2/20 0.55
HTR2A P28223 1/20 0.54
RECQL P46063 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
PDE3B Q13370 1/20 0.49
PDE3A Q14432 1/20 0.49
DRD3 P35462 2/20 0.48
HTR7 P34969 1/20 0.48
ADRA1A P35348 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
SCHEMBL4684541 0.98 HTR2A (0.57) DRD2MGLLABHD6HTR2ARECQL
SCHEMBL4686682 0.97 HTR2A (0.58) DRD2MGLLABHD6HTR2ARECQL
SCHEMBL5208640 0.90 HTR2A (0.54) DRD2MGLLABHD6HTR2ARECQL
SCHEMBL4687730 0.88 HTR2A (0.57) DRD2HTR2ASMN1; SMN2DRD3HTR7
SCHEMBL4683539 0.86 HTR2A (0.52) DRD2HTR2ARECQLSMN1; SMN2DRD3
SCHEMBL4685108 0.85 HTR2A (0.51) DRD2HTR2ARECQLSMN1; SMN2DRD3
SCHEMBL4684360 0.85 HTR7 (0.53) DRD2SMN1; SMN2DRD3HTR7ADRA1A
SCHEMBL4683527 0.85 HTR2A (0.53) DRD2HTR2APDE3BPDE3ADRD3
SCHEMBL14070568 0.85 DRD2 (0.53) DRD2HTR2ASMN1; SMN2DRD3HTR7
SCHEMBL4686307 0.84 DRD2 (0.51) DRD2SMN1; SMN2DRD3HTR7ADRA1A

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 9 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
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

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 8/4885MGLL 2860/4885ABHD6 1804/4885

“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.