SCHEMBL4492765

SCHEMBL4492765

COc1ccccc1N1CCN(CCC2CCC(NC(=O)CC#N)CC2)CC1

nearest known ligand 0.66

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 15/20 0.66
DRD3 P35462 13/20 0.66
HTR2A P28223 7/20 0.65
DRD4 P21917 7/20 0.63
HTR1A P08908 4/20 0.63
HTR2B P41595 4/20 0.63
DRD1 P21728 2/20 0.55
HTR2C P28335 2/20 0.55

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
SCHEMBL13629966 1.00 DRD2 (0.66) DRD2DRD3HTR2ADRD4HTR1A
SCHEMBL4478807 0.91 DRD2 (0.63) DRD2DRD3HTR2ADRD4HTR1A
SCHEMBL13630104 0.91 DRD2 (0.63) DRD2DRD3HTR2ADRD4HTR1A
SCHEMBL4489290 0.89 DRD2 (0.64) DRD2DRD3HTR2ADRD4HTR1A
SCHEMBL13630226 0.89 DRD2 (0.64) DRD2DRD3HTR2ADRD4HTR1A
SCHEMBL4498470 0.89 DRD2 (0.63) DRD2DRD3HTR2ADRD4HTR1A
SCHEMBL13630105 0.89 DRD2 (0.63) DRD2DRD3HTR2ADRD4HTR1A
SCHEMBL4476533 0.88 DRD2 (0.58) DRD2DRD3HTR2ADRD4HTR1A
SCHEMBL13630041 0.88 DRD2 (0.58) DRD2DRD3HTR2ADRD4HTR1A
SCHEMBL13630067 0.88 DRD2 (0.58) DRD2DRD3HTR2ADRD4HTR1A

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
EP-1870405-A1 Carbonylated (Aza)cyclohexanes as dopamine D3 receptor ligands BIOPROJET (FR) 2007-12-26 EP 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
EP-1870405-A1 Carbonylated (Aza)cyclohexanes as dopamine D3 receptor ligands BIOPROJET (FR) 2007-12-26 EP 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 DRD2 4/4885DRD3 1/4885HTR2A 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.