SCHEMBL4687728

SCHEMBL4687728

COc1ccc2cn(C(=O)CCCCCN3CCN(c4cccc(C(F)(F)F)c4)CC3)cc2c1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 5/20 0.55
HTR7 P34969 5/20 0.55
HTR2C P28335 4/20 0.55
DRD2 P14416 2/20 0.55
ADRA1A P35348 2/20 0.55
DRD3 P35462 2/20 0.55
HTR1A P08908 2/20 0.55
HTR6 P50406 2/20 0.55
TSHR P16473 1/20 0.54
KCNH2 Q12809 2/20 0.53
SIGMAR1 Q99720 1/20 0.52
ABCB1 P08183 2/20 0.51
MEN1 O00255 1/20 0.51
LMNA P02545 1/20 0.51
KMT2A Q03164 1/20 0.51
TP53 P04637 1/20 0.49
MAPT P10636 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
SCHEMBL4683536 0.92 DRD2 (0.53) HTR2AHTR7HTR2CDRD2ADRA1A
SCHEMBL4685106 0.92 HTR7 (0.52) HTR2AHTR7HTR2CDRD2ADRA1A
SCHEMBL4688658 0.91 MAPT (0.57) HTR2AHTR7HTR2CDRD2ADRA1A
SCHEMBL4686681 0.90 HTR2A (0.57) HTR2AHTR7DRD2ADRA1ADRD3
SCHEMBL4687784 0.89 HTR2A (0.56) HTR2AHTR7DRD2ADRA1ADRD3
SCHEMBL4687018 0.89 DRD2 (0.62) HTR2AHTR7HTR2CDRD2ADRA1A
SCHEMBL4683573 0.89 DRD2 (0.59) HTR2AHTR7HTR2CDRD2ADRA1A
SCHEMBL4683527 0.88 HTR2A (0.53) HTR2AHTR7DRD2ADRA1ADRD3
SCHEMBL4688656 0.88 DRD2 (0.55) HTR2AHTR7HTR2CDRD2ADRA1A
SCHEMBL4684374 0.88 DRD2 (0.55) HTR2AHTR7HTR2CDRD2ADRA1A

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 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-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 HTR2A 34/4885HTR7 39/4885HTR2C 13/4885

“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.