SCHEMBL4483636

SCHEMBL4483636

N#CCCCC(=O)NC1CCC(CCN2CCN(c3cccc(OC(F)(F)F)c3)CC2)CC1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 2/20 0.57
DRD2 P14416 12/20 0.51
DRD3 P35462 12/20 0.51
HTR1A P08908 3/20 0.48
DRD4 P21917 3/20 0.48
HTR2A P28223 3/20 0.48
HTR2B P41595 3/20 0.48
HTR2C P28335 2/20 0.48
DRD1 P21728 1/20 0.46

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
SCHEMBL13630051 1.00 CHRM4 (0.57) CHRM4DRD2DRD3HTR1ADRD4
SCHEMBL13630262 0.90 DRD2 (0.63) DRD2DRD3HTR1ADRD4HTR2A
SCHEMBL4478529 0.90 DRD2 (0.63) DRD2DRD3HTR1ADRD4HTR2A
SCHEMBL13630001 0.90 DRD2 (0.58) CHRM4DRD2DRD3HTR2A
SCHEMBL4483248 0.90 DRD2 (0.58) CHRM4DRD2DRD3HTR2A
SCHEMBL13630412 0.88 DRD2 (0.53) DRD2DRD3HTR1ADRD4HTR2A
SCHEMBL4495114 0.88 DRD2 (0.53) DRD2DRD3HTR1ADRD4HTR2A
SCHEMBL13630008 0.88 DRD2 (0.60) DRD2DRD3HTR1ADRD4HTR2A
SCHEMBL4503624 0.88 DRD2 (0.60) DRD2DRD3HTR1ADRD4HTR2A
SCHEMBL13630241 0.88 DRD2 (0.52) DRD2DRD3HTR1ADRD4HTR2A

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 CHRM4 170/4885DRD2 4/4885DRD3 1/4885

“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.