SCHEMBL4933086

SCHEMBL4933086

Clc1cccc(N2CCN(CCCCNc3cc(-c4ccccc4)ccn3)CC2)c1Cl

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 15/20 1.00
DRD3 P35462 14/20 1.00
ADRA1A P35348 7/20 1.00
KCNH2 Q12809 2/20 0.64
HRH4 Q9H3N8 2/20 0.64
FAAH O00519 4/20 0.60
DRD4 P21917 2/20 0.60
HTR1A P08908 4/20 0.59
HTR2A P28223 4/20 0.59
HTR7 P34969 4/20 0.59
HTR6 P50406 4/20 0.59
SLC6A2 P23975 1/20 0.56
SLC6A4 P31645 1/20 0.56

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
SCHEMBL8225430 0.88 DRD2 (0.78) DRD2DRD3ADRA1AKCNH2HRH4
SCHEMBL4932908 0.86 DRD3 (1.00) DRD2DRD3ADRA1AKCNH2HRH4
SCHEMBL4932348 0.85 DRD2 (1.00) DRD2DRD3ADRA1AHTR1AHTR2A
SCHEMBL8228863 0.84 DRD2 (0.76) DRD2DRD3ADRA1ADRD4HTR2A
SCHEMBL4932306 0.84 DRD2 (0.75) DRD2DRD3ADRA1AKCNH2HTR1A
SCHEMBL4933234 0.82 DRD2 (0.70) DRD2DRD3ADRA1AKCNH2HTR1A
SCHEMBL5181188 0.82 DRD2 (0.69) DRD2DRD3ADRA1AFAAHHTR1A
Hydrochloric Acid SCHEMBL4935249 0.81 DRD2 (0.68) DRD2DRD3ADRA1AFAAHHTR1A
SCHEMBL4933066 0.80 DRD3 (0.67) DRD2DRD3ADRA1AHRH4FAAH
SCHEMBL5113647 0.80 DRD2 (0.75) DRD2DRD3ADRA1AKCNH2HRH4

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7432269-B2 Arylpiperaszine derivatives, to the process for the production thereof and to the use thereof as therapeutic agents BIOPROJET (FR) 2008-10-07 US claimed
EP-1659112-B1 Arylpiperazuine derivatives as selective ligand for the dopamine D3 receptor BIOPROJET SOC CIV (FR) 2007-06-20 EP claimed
EP-1659112-A1 Arylpiperazuine derivatives as selective ligand for the dopamine D3 receptor BIOPROJET (FR) 2006-05-24 EP claimed
US-20060089364-A1 Arylpiperaszine derivatives, to the process for the production thereof and to the use thereof as therapeutic agents BIOPROJET (FR) 2006-04-27 US claimed
US-7432269-B2 Arylpiperaszine derivatives, to the process for the production thereof and to the use thereof as therapeutic agents BIOPROJET (FR) 2008-10-07 US disclosed
US-7432269-B2 Arylpiperaszine derivatives, to the process for the production thereof and to the use thereof as therapeutic agents BIOPROJET (FR) 2008-10-07 US disclosed
US-7432269-B2 Arylpiperaszine derivatives, to the process for the production thereof and to the use thereof as therapeutic agents BIOPROJET (FR) 2008-10-07 US disclosed
US-20080167320-A1 NOVEL ARYLPIPERAZINE DERIVATIVES CAPET MARC 2008-07-10 US disclosed
US-20080167320-A1 NOVEL ARYLPIPERAZINE DERIVATIVES CAPET MARC 2008-07-10 US disclosed
US-20080167320-A1 NOVEL ARYLPIPERAZINE DERIVATIVES CAPET MARC 2008-07-10 US disclosed
EP-1659112-B1 Arylpiperazuine derivatives as selective ligand for the dopamine D3 receptor BIOPROJET SOC CIV (FR) 2007-06-20 EP disclosed
EP-1659112-B1 Arylpiperazuine derivatives as selective ligand for the dopamine D3 receptor BIOPROJET SOC CIV (FR) 2007-06-20 EP disclosed
EP-1659112-A1 Arylpiperazuine derivatives as selective ligand for the dopamine D3 receptor BIOPROJET (FR) 2006-05-24 EP disclosed
US-20060089364-A1 Arylpiperaszine derivatives, to the process for the production thereof and to the use thereof as therapeutic agents BIOPROJET (FR) 2006-04-27 US disclosed
US-20060089364-A1 Arylpiperaszine derivatives, to the process for the production thereof and to the use thereof as therapeutic agents BIOPROJET (FR) 2006-04-27 US disclosed
US-20060089364-A1 Arylpiperaszine derivatives, to the process for the production thereof and to the use thereof as therapeutic agents BIOPROJET (FR) 2006-04-27 US 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 (2 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-20080167320-A1 NOVEL ARYLPIPERAZINE DERIVATIVES DRD2, HTR2C, DRD3 DRD2 1/4885DRD3 3/4885ADRA1A 93/4885
US-20060089364-A1 Arylpiperaszine derivatives, to the process for the production thereof and to the use thereof as therapeutic agents CYP4Z1, CYP3A5, CYP1A2 DRD2 1280/4885DRD3 1872/4885ADRA1A 84/4885

“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.