SCHEMBL4684541

SCHEMBL4684541

O=C(CCCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1)N1Cc2ccc(OCCCN3CCCCC3)cc2C1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.57
DRD2 P14416 5/20 0.56
RECQL P46063 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
MGLL Q99685 2/20 0.51
ABHD6 Q9BV23 2/20 0.51
HRH3 Q9Y5N1 2/20 0.50
PDE3B Q13370 1/20 0.49
PDE3A Q14432 1/20 0.49
DRD3 P35462 1/20 0.49
HTR7 P34969 1/20 0.49

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
SCHEMBL4686682 0.99 HTR2A (0.58) HTR2ADRD2RECQLSMN1; SMN2MGLL
SCHEMBL4683531 0.98 DRD2 (0.55) HTR2ADRD2RECQLSMN1; SMN2MGLL
SCHEMBL5208640 0.93 HTR2A (0.54) HTR2ADRD2RECQLSMN1; SMN2MGLL
SCHEMBL4687730 0.88 HTR2A (0.57) HTR2ADRD2SMN1; SMN2DRD3HTR7
SCHEMBL4683539 0.87 HTR2A (0.52) HTR2ADRD2RECQLSMN1; SMN2DRD3
SCHEMBL4685108 0.86 HTR2A (0.51) HTR2ADRD2RECQLSMN1; SMN2DRD3
SCHEMBL4684360 0.86 HTR7 (0.53) DRD2SMN1; SMN2DRD3HTR7
SCHEMBL14070568 0.85 DRD2 (0.53) HTR2ADRD2SMN1; SMN2DRD3HTR7
SCHEMBL4686307 0.85 DRD2 (0.51) DRD2SMN1; SMN2DRD3HTR7
SCHEMBL4687021 0.85 DRD2 (0.63) HTR2ADRD2SMN1; SMN2DRD3HTR7

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 10 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
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 HTR2A 34/4885DRD2 8/4885RECQL 4243/4885

“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.