SCHEMBL4688658

SCHEMBL4688658

COc1cc2cn(C(=O)CCCCCN3CCN(c4cccc(C(F)(F)F)c4)CC3)cc2cc1OC

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.57
TP53 P04637 1/20 0.57
HTR7 P34969 4/20 0.52
TSHR P16473 2/20 0.52
LMNA P02545 1/20 0.52
HTT P42858 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
DRD2 P14416 2/20 0.52
DRD3 P35462 2/20 0.52
HTR2A P28223 2/20 0.52
ADRA1A P35348 1/20 0.52
HTR1A P08908 1/20 0.52
HTR2C P28335 1/20 0.52
HTR6 P50406 1/20 0.52
SIGMAR1 Q99720 1/20 0.51
ABCB1 P08183 1/20 0.51
HTR4 Q13639 1/20 0.51

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
SCHEMBL4687728 0.91 HTR2A (0.55) MAPTTP53HTR7TSHRLMNA
SCHEMBL4687018 0.89 DRD2 (0.62) HTR7DRD2DRD3HTR2AADRA1A
SCHEMBL4683573 0.87 DRD2 (0.59) HTR7DRD2DRD3HTR2AADRA1A
SCHEMBL4688656 0.86 DRD2 (0.55) HTR7DRD2DRD3HTR2AADRA1A
SCHEMBL4684374 0.86 DRD2 (0.55) HTR7DRD2DRD3HTR2AADRA1A
SCHEMBL4686773 0.86 MAPT (0.62) MAPTTP53HTR7TSHRLMNA
SCHEMBL4684298 0.86 DRD2 (0.59) HTR7DRD2DRD3HTR2AADRA1A
SCHEMBL4689635 0.86 DRD2 (0.53) HTR7DRD2DRD3HTR2AADRA1A
SCHEMBL4685505 0.86 DRD2 (0.53) HTR7DRD2DRD3HTR2AADRA1A
SCHEMBL4683536 0.85 DRD2 (0.53) HTR7TSHRDRD2DRD3HTR2A

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 6 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
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 MAPT 2555/4885TP53 4442/4885HTR7 39/4885

“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.