SCHEMBL3868906

SCHEMBL3868906

CC(=O)c1cccc(N2CCN(CCC3CCN(C(=O)OC(C)(C)C)CC3)CC2)c1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 8/20 0.57
KDM4E B2RXH2 1/20 0.49
PKM P14618 1/20 0.49
TGFBR1 P36897 4/20 0.49
DRD2 P14416 3/20 0.47
DRD3 P35462 3/20 0.47
VCP P55072 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
SCHEMBL3867048 0.92 GPR119 (0.57) GPR119KDM4EPKMTGFBR1DRD2
SCHEMBL4492800 0.90 GPR119 (0.55) GPR119KDM4EPKMTGFBR1DRD2
SCHEMBL13629867 0.89 GPR119 (0.54) GPR119KDM4EPKMTGFBR1DRD2
SCHEMBL4505636 0.89 GPR119 (0.56) GPR119KDM4EPKMTGFBR1DRD2
SCHEMBL3892585 0.87 GPR119 (0.52) GPR119KDM4EPKMTGFBR1DRD2
SCHEMBL4492635 0.86 KDM4E (0.53) GPR119KDM4EPKMTGFBR1DRD2
SCHEMBL3865928 0.86 GPR119 (0.57) GPR119TGFBR1DRD2DRD3VCP
SCHEMBL3849025 0.85 GPR119 (0.56) GPR119TGFBR1DRD2DRD3
SCHEMBL2333786 0.85 GPR119 (0.58) GPR119
SCHEMBL13757742 0.84 CHRM4 (0.57) GPR119TGFBR1DRD2DRD3

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 9 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 disclosed
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
US-20090286801-A1 CARBONYLATED (AZA) CYCLOHEXANES AS DOPAMINE D3 RECEPTOR LIGANDS BIOPROJET (FR) 2009-11-19 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
WO-2007148208-A2 CARBONYLATED (AZA) CYCLOHEXANES AS DOPAMINE D3 RECEPTOR LIGANDS BIOPROJET (FR) 2007-12-27 WO 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 GPR119 61/4885KDM4E 1907/4885PKM 4026/4885

“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.