SCHEMBL4496072

SCHEMBL4496072

CC(C)Cc1cccc(N2CCN(CCC3CCN(C(=O)OC(C)(C)C)CC3)CC2)c1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 8/20 0.54
TGFBR1 P36897 2/20 0.47
VCP P55072 2/20 0.46
DRD2 P14416 2/20 0.45
DRD3 P35462 2/20 0.45
MAPT P10636 2/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL3865928 0.89 GPR119 (0.57) GPR119TGFBR1VCPDRD2DRD3
SCHEMBL3875189 0.88 GPR119 (0.55) GPR119TGFBR1VCPDRD2DRD3
SCHEMBL3853616 0.87 DRD2 (0.48) VCPDRD2DRD3
SCHEMBL4492729 0.86 GPR119 (0.55) GPR119TGFBR1VCPDRD2DRD3
SCHEMBL13629867 0.85 GPR119 (0.54) GPR119TGFBR1VCPDRD2DRD3
SCHEMBL3869228 0.85 GPR119 (0.54) GPR119TGFBR1VCPDRD2DRD3
SCHEMBL3868906 0.83 GPR119 (0.57) GPR119TGFBR1VCPDRD2DRD3
SCHEMBL3867048 0.83 GPR119 (0.57) GPR119TGFBR1VCPDRD2DRD3
SCHEMBL3849025 0.83 GPR119 (0.56) GPR119TGFBR1DRD2DRD3LMNA
SCHEMBL3845038 0.82 DRD2 (0.47) VCPDRD2DRD3

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 3 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
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

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 61/4885TGFBR1 2001/4885VCP 3973/4885

“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.