SCHEMBL4489914

SCHEMBL4489914

CCc1cccc(N2CCN(CCC3CCC(NC(=O)CS(C)(=O)=O)CC3)CC2)c1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 14/20 0.61
DRD2 P14416 13/20 0.61
HTR2A P28223 8/20 0.61
HTR1A P08908 1/20 0.50
DRD1 P21728 1/20 0.50
DRD4 P21917 1/20 0.50
HTR2C P28335 1/20 0.50
HTR2B P41595 1/20 0.50

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
SCHEMBL13630270 1.00 DRD3 (0.61) DRD3DRD2HTR2AHTR1ADRD1
SCHEMBL4486729 0.86 DRD2 (0.60) DRD3DRD2HTR2A
SCHEMBL13630184 0.86 DRD2 (0.60) DRD3DRD2HTR2A
SCHEMBL4481761 0.86 DRD2 (0.59) DRD3DRD2HTR2AHTR1ADRD1
SCHEMBL13630110 0.86 DRD2 (0.59) DRD3DRD2HTR2AHTR1ADRD1
SCHEMBL4487373 0.85 DRD2 (0.58) DRD3DRD2HTR2AHTR1ADRD1
SCHEMBL4488376 0.85 DRD2 (0.59) DRD3DRD2HTR2AHTR1ADRD1
SCHEMBL13629995 0.85 DRD2 (0.59) DRD3DRD2HTR2AHTR1ADRD1
SCHEMBL13630175 0.85 DRD2 (0.59) DRD3DRD2HTR2AHTR1ADRD1
SCHEMBL13630453 0.85 DRD2 (0.58) DRD3DRD2HTR2AHTR1ADRD1

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
EP-2038268-B1 CARBONYLATED (AZA)CYCLOHEXANES AS DOPAMINE D3 RECEPTOR LIGANDS BIOPROJET SOC CIV (FR) 2015-11-04 EP claimed
US-8802678-B2 Carbonylated (aza) cyclohexanes as dopamine D3 receptor ligands BIOPROJET (FR) 2014-08-12 US claimed
US-20090286801-A1 CARBONYLATED (AZA) CYCLOHEXANES AS DOPAMINE D3 RECEPTOR LIGANDS BIOPROJET (FR) 2009-11-19 US claimed
CN-101511805-A As dopamine D3Novel carbonylated (aza) cyclohexanes with receptor ligands BIOPROJET SOC CIV (FR) 2009-08-19 CN claimed
EP-2038268-B1 CARBONYLATED (AZA)CYCLOHEXANES AS DOPAMINE D3 RECEPTOR LIGANDS BIOPROJET SOC CIV (FR) 2015-11-04 EP disclosed
US-8802678-B2 Carbonylated (aza) cyclohexanes as dopamine D3 receptor ligands BIOPROJET (FR) 2014-08-12 US disclosed
US-20090286801-A1 CARBONYLATED (AZA) CYCLOHEXANES AS DOPAMINE D3 RECEPTOR LIGANDS BIOPROJET (FR) 2009-11-19 US disclosed
CN-101511805-A As dopamine D3Novel carbonylated (aza) cyclohexanes with receptor ligands BIOPROJET SOC CIV (FR) 2009-08-19 CN 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-20090286801-A1 CARBONYLATED (AZA) CYCLOHEXANES AS DOPAMINE D3 RECEPTOR LIGANDS DRD3, TACR2, TACR1 DRD3 1/4885DRD2 4/4885HTR2A 225/4885

“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.