SCHEMBL4687913

SCHEMBL4687913

O=C(CCCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1)N1Cc2ccc(CN3CCOCC3)cc2C1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1G O43497 2/20 0.54
DRD2 P14416 4/20 0.51
DRD3 P35462 4/20 0.51
HTR7 P34969 5/20 0.49
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 1/20 0.49
KDM4C Q9H3R0 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
SIGMAR1 Q99720 1/20 0.48
DRD5 P21918 2/20 0.47
LMNA P02545 2/20 0.47
TP53 P04637 2/20 0.47
MAPT P10636 2/20 0.47
ADRA1A P35348 1/20 0.46
HTR1A P08908 1/20 0.46
GAA P10253 1/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46

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
Hydrochloric Acid SCHEMBL4932349 0.99 CACNA1G (0.53) CACNA1GDRD2DRD3HTR7KDM4E
SCHEMBL4684360 0.93 HTR7 (0.53) CACNA1GDRD2DRD3HTR7KDM4E
SCHEMBL4689618 0.88 SIGMAR1 (0.53) DRD2DRD3HTR7ALDH1A1TDP1
SCHEMBL4687765 0.87 SIGMAR1 (0.52) DRD2DRD3HTR7ALDH1A1TDP1
SCHEMBL4687764 0.87 DRD2 (0.51) DRD2DRD3HTR7SIGMAR1DRD5
SCHEMBL4684342 0.86 SIGMAR1 (0.54) DRD2DRD3HTR7ALDH1A1TDP1
SCHEMBL4687911 0.85 DRD2 (0.50) CACNA1GDRD2DRD3HTR7KDM4E
SCHEMBL4689638 0.85 HTR7 (0.51) DRD2DRD3HTR7SIGMAR1DRD5
SCHEMBL4687021 0.85 DRD2 (0.63) DRD2DRD3HTR7SIGMAR1DRD5
SCHEMBL4688657 0.84 HTR7 (0.55) DRD2DRD3HTR7SIGMAR1DRD5

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 8 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 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 CACNA1G 2562/4885DRD2 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.