SCHEMBL4686773

SCHEMBL4686773

COc1cc2c(cc1OC)CN(C(=O)CCCCCN1CCN(c3cccc(C(F)(F)F)c3)CC1)C2

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.62
TP53 P04637 1/20 0.62
DRD2 P14416 4/20 0.57
HTR1A P08908 1/20 0.57
LMNA P02545 2/20 0.55
TSHR P16473 2/20 0.55
HTT P42858 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
DRD3 P35462 3/20 0.54
HTR4 Q13639 1/20 0.53
POLB P06746 1/20 0.53
HTR7 P34969 2/20 0.53
DRD5 P21918 2/20 0.52
SIGMAR1 Q99720 1/20 0.52

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
SCHEMBL4687730 0.90 HTR2A (0.57) MAPTTP53DRD2HTR1ALMNA
SCHEMBL4687021 0.88 DRD2 (0.63) MAPTTP53DRD2HTR1ALMNA
Hydrochloric Acid SCHEMBL4685542 0.88 DRD2 (0.62) MAPTTP53DRD2HTR1ALMNA
SCHEMBL4683575 0.87 DRD2 (0.53) MAPTTP53DRD2HTR1ALMNA
SCHEMBL4688658 0.86 MAPT (0.57) MAPTTP53DRD2HTR1ALMNA
Hydrochloric Acid SCHEMBL4690031 0.86 DRD2 (0.53) MAPTTP53DRD2HTR1ALMNA
SCHEMBL4688657 0.86 HTR7 (0.55) MAPTTP53DRD2HTR1ALMNA
SCHEMBL4684376 0.86 DRD2 (0.55) MAPTTP53DRD2HTR1ALMNA
SCHEMBL4684307 0.85 HTR7 (0.52) MAPTTP53DRD2HTR1ALMNA
SCHEMBL4684299 0.85 DRD2 (0.54) MAPTTP53DRD2LMNAHTT

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 4442/4885DRD2 8/4885

“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.