SCHEMBL13629918

SCHEMBL13629918

CCOCC(=O)N[C@H]1CC[C@H](CCN2CC=C(c3cccc(C(F)(F)F)c3)CC2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.49
PPARA Q07869 1/20 0.49
HTR7 P34969 2/20 0.46
DRD2 P14416 6/20 0.45
DRD3 P35462 4/20 0.45
HTR2A P28223 2/20 0.45
POLB P06746 1/20 0.43
HTT P42858 1/20 0.43
HTR1A P08908 1/20 0.42
DRD1 P21728 1/20 0.42
DRD4 P21917 1/20 0.42
HTR2C P28335 1/20 0.42
HTR2B P41595 1/20 0.42
MEN1 O00255 1/20 0.42
UBE2M P61081 1/20 0.42
KMT2A Q03164 1/20 0.42
DCUN1D1 Q96GG9 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL4490612 1.00 PPARG (0.49) PPARGPPARAHTR7DRD2DRD3
SCHEMBL13629896 0.92 DRD3 (0.49) PPARGPPARAHTR7DRD2DRD3
SCHEMBL4486901 0.92 DRD3 (0.49) PPARGPPARAHTR7DRD2DRD3
SCHEMBL13629916 0.85 DRD2 (0.50) PPARGPPARAHTR7DRD2DRD3
SCHEMBL4493685 0.85 DRD2 (0.50) PPARGPPARAHTR7DRD2DRD3
SCHEMBL4498195 0.85 DRD2 (0.49) PPARGPPARADRD2DRD3HTR2A
SCHEMBL13630404 0.85 DRD2 (0.49) PPARGPPARADRD2DRD3HTR2A
SCHEMBL13629934 0.85 DRD3 (0.49) PPARGPPARAHTR7DRD2DRD3
SCHEMBL4491759 0.85 DRD3 (0.49) PPARGPPARAHTR7DRD2DRD3
SCHEMBL4483022 0.84 DRD2 (0.49) PPARGPPARADRD2DRD3HTR2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 PPARG 937/4885PPARA 1476/4885HTR7 233/4885

“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.