SCHEMBL13675463

SCHEMBL13675463

O=C1C(Cc2ccc(OS(=O)(=O)C(F)(F)F)cc2Cl)CCN1C1CCC2(CC1)CC2

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.37
FFAR4 Q5NUL3 11/20 0.36
DRD3 P35462 3/20 0.36
DRD2 P14416 2/20 0.32
DRD1 P21728 2/20 0.32
DRD4 P21917 2/20 0.32
DRD5 P21918 2/20 0.32
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32
OPRK1 P41145 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
SCHEMBL4512149 0.90 HSD11B1 (0.35) HSD11B1FFAR4DRD3DRD2DRD1
SCHEMBL474701 0.82 HSD11B1 (0.36) HSD11B1FFAR4DRD3DRD2DRD1
SCHEMBL474649 0.82 HSD11B1 (0.36) HSD11B1FFAR4DRD3DRD2DRD1
SCHEMBL13675470 0.82 FFAR4 (0.36) HSD11B1FFAR4DRD3OPRM1OPRD1
SCHEMBL13675471 0.79 SLC6A9 (0.42) HSD11B1FFAR4
SCHEMBL208795 0.79 HSD11B1 (0.48) HSD11B1DRD3DRD2DRD1DRD4
SCHEMBL474822 0.78 HSD11B1 (0.37) HSD11B1DRD3DRD2DRD1DRD4
SCHEMBL474821 0.78 HSD11B1 (0.37) HSD11B1DRD3DRD2DRD1DRD4
SCHEMBL474888 0.78 HSD11B1 (0.37) HSD11B1DRD3DRD2DRD1DRD4
SCHEMBL13675467 0.78 HSD11B1 (0.39) HSD11B1

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-20090264650-A1 Prophylactic/Therapeutic Agent for Diabetes TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-22 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-20090264650-A1 Prophylactic/Therapeutic Agent for Diabetes HSD11B1, HSD17B1, HSD11B2 HSD11B1 1/4885FFAR4 1012/4885DRD3 3583/4885

“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.