SCHEMBL4743255

SCHEMBL4743255

O=C(O)CCCCCN1CCN(c2ccc3c(c2)CCCCC3)CC1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.50
HTR7 P34969 5/20 0.47
HTR1A P08908 4/20 0.47
DRD2 P14416 4/20 0.47
KCNH2 Q12809 2/20 0.45
TMEM97 Q5BJF2 2/20 0.45
SIGMAR1 Q99720 2/20 0.45
DRD4 P21917 3/20 0.43
DRD3 P35462 3/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
CYP1A2 P05177 1/20 0.43
MAPK1 P28482 1/20 0.43

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
SCHEMBL4741270 0.84 HTR1A (0.57) HTR7HTR1ADRD2TMEM97SIGMAR1
SCHEMBL4946260 0.84 TMEM97 (0.57) SLC2A1HTR1AKCNH2TMEM97SIGMAR1
SCHEMBL4685443 0.83 HTR1A (0.58) HTR7HTR1ADRD2TMEM97SIGMAR1
SCHEMBL4684256 0.81 HTR1A (0.58) SLC2A1HTR7HTR1ADRD2TMEM97
SCHEMBL5848982 0.77 KCNH2 (0.75) HTR7HTR1ADRD2KCNH2SIGMAR1
SCHEMBL1706541 0.76 KCNH2 (0.79) HTR7HTR1ADRD2KCNH2SIGMAR1
SCHEMBL8267105 0.76 HTR1A (0.43) SLC2A1HTR7HTR1ADRD2TMEM97
SCHEMBL5009487 0.73 HTR7 (0.52) HTR7HTR1ADRD2KCNH2DRD4
SCHEMBL7566159 0.73 HRH3 (0.58) HTR7HTR1ADRD2DRD4HTR2A
SCHEMBL4687501 0.72 SIGMAR1 (0.67) HTR7HTR1ADRD2SIGMAR1DRD3

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 4 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
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 SLC2A1 2299/4885HTR7 39/4885HTR1A 88/4885

“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.