SCHEMBL3845997

SCHEMBL3845997

NC(=O)C1CCC(CCN2CCN(c3cccc(C(F)(F)F)c3F)CC2)CC1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.52
DRD2 P14416 15/20 0.52
DRD3 P35462 14/20 0.52
HTR1A P08908 3/20 0.48
DRD4 P21917 3/20 0.48
HTR2B P41595 3/20 0.48
HTR2A P28223 2/20 0.45
ABCB11 O95342 1/20 0.45
CHRM2 P08172 1/20 0.45
ADRA2A P08913 1/20 0.45
CHRM1 P11229 1/20 0.45
DRD1 P21728 1/20 0.45
DRD5 P21918 1/20 0.45
HTR2C P28335 1/20 0.45
HTR7 P34969 1/20 0.45
ADRA1A P35348 1/20 0.45
HRH1 P35367 1/20 0.45
KCNH2 Q12809 1/20 0.45

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
SCHEMBL3853895 0.90 DRD2 (0.54) DRD2DRD3HTR1ADRD4HTR2B
SCHEMBL3846000 0.85 DRD2 (0.62) NOTUMDRD2DRD3HTR1ADRD4
SCHEMBL3847617 0.83 DRD2 (0.53) DRD2DRD3HTR1AHTR7
SCHEMBL13630307 0.83 DRD2 (0.61) DRD2DRD3HTR1ADRD4HTR2B
SCHEMBL4484672 0.83 DRD2 (0.61) DRD2DRD3HTR1ADRD4HTR2B
SCHEMBL3845347 0.82 NOTUM (0.48) NOTUMDRD2DRD3HTR1ADRD4
SCHEMBL4478384 0.81 DRD2 (0.57) DRD2DRD3HTR1ADRD4HTR2B
SCHEMBL13630117 0.81 DRD2 (0.67) DRD2DRD3HTR1ADRD4HTR2B
SCHEMBL13630292 0.81 DRD2 (0.57) DRD2DRD3HTR1ADRD4HTR2B
SCHEMBL4486540 0.81 DRD2 (0.67) DRD2DRD3HTR1ADRD4HTR2B

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 12 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-2038268-A2 CARBONYLATED (AZA)CYCLOHEXANES AS DOPAMINE D3 RECEPTOR LIGANDS BIOPROJET (FR) 2009-03-25 EP claimed
WO-2007148208-A2 CARBONYLATED (AZA) CYCLOHEXANES AS DOPAMINE D3 RECEPTOR LIGANDS BIOPROJET (FR) 2007-12-27 WO 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-2038268-A2 CARBONYLATED (AZA)CYCLOHEXANES AS DOPAMINE D3 RECEPTOR LIGANDS BIOPROJET (FR) 2009-03-25 EP disclosed
WO-2007148208-A2 CARBONYLATED (AZA) CYCLOHEXANES AS DOPAMINE D3 RECEPTOR LIGANDS BIOPROJET (FR) 2007-12-27 WO 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 NOTUM 3879/4885DRD2 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.