SCHEMBL2698104

SCHEMBL2698104

CC(C)(C)C(C(=O)O)C1CCC(c2ccc(OS(=O)(=O)C(F)(F)F)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 4/20 0.46
▸ DRD3 P35462 4/20 0.46
▸ DRD1 P21728 3/20 0.46
▸ DRD4 P21917 3/20 0.46
▸ DRD5 P21918 3/20 0.46
▸ CXCR2 P25025 2/20 0.40
▸ HSD11B1 P28845 2/20 0.40
▸ CXCR1 P25024 1/20 0.39
▸ CASP1 P29466 2/20 0.35
▸ IDO1 P14902 1/20 0.34
▸ CACNA1G O43497 1/20 0.34
▸ CACNA1H O95180 1/20 0.34
▸ CACNA1I Q9P0X4 1/20 0.34
▸ HTR1D P28221 1/20 0.33
▸ KIF11 P52732 1/20 0.32

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
SCHEMBL2698102 1.00 DRD2 (0.46) DRD2DRD3DRD1DRD4DRD5
SCHEMBL660963 0.85 DRD2 (0.47) DRD2DRD3DRD1DRD4DRD5
SCHEMBL435425 0.85 DRD2 (0.47) DRD2DRD3DRD1DRD4DRD5
SCHEMBL603381 0.82 DRD2 (0.50) DRD2DRD3DRD1DRD4DRD5
SCHEMBL22444698 0.81 DRD2 (0.57) DRD2DRD3DRD1DRD4DRD5
SCHEMBL2698138 0.79 ESR2 (0.49) —
SCHEMBL2698142 0.79 ESR2 (0.49) —
SCHEMBL13009633 0.78 DRD2 (0.48) DRD2DRD3DRD1DRD4DRD5
SCHEMBL21541750 0.77 DRD2 (0.51) DRD2DRD3DRD1DRD4DRD5
SCHEMBL3652025 0.76 DRD2 (0.48) DRD2DRD3DRD1DRD4DRD5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120108602-A1 Carbamoyl Compounds as DGAT1 Inhibitors 190 ASTRAZENECA AB (SE) 2012-05-03 — — 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-20120108602-A1 Carbamoyl Compounds as DGAT1 Inhibitors 190 DGAT1, DGAT2, SOAT1 DRD2 890/4885DRD3 562/4885DRD1 279/4885

“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.

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