SCHEMBL4522631

SCHEMBL4522631

CC(C)(C)[Si](Oc1ccc(CC2CCN(C3CCC(=O)CC3)C2=O)c(Cl)c1)(c1ccccc1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.39
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33
ROCK2 O75116 1/20 0.33
CYP24A1 Q07973 5/20 0.33
CYP27A1 Q02318 3/20 0.33
CYP26A1 O43174 1/20 0.32
SMYD2 Q9NRG4 1/20 0.30

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
SCHEMBL4521367 0.89 HSD11B1 (0.37) HSD11B1OPRM1OPRD1OPRK1ROCK2
SCHEMBL4523771 0.82 HSD11B1 (0.45) HSD11B1OPRM1OPRD1OPRK1ROCK2
SCHEMBL2204952 0.82 OPRM1 (0.42) HSD11B1OPRM1OPRD1OPRK1CYP24A1
SCHEMBL13675751 0.78 HSD11B1 (0.40) HSD11B1ROCK2
SCHEMBL12432122 0.76 HSD11B1 (0.41) HSD11B1OPRM1OPRD1OPRK1ROCK2
SCHEMBL2208659 0.75 HSD11B1 (0.43) HSD11B1
SCHEMBL4525789 0.75 HSD11B1 (0.51) HSD11B1OPRM1ROCK2
SCHEMBL2206955 0.74 P2RX7 (0.43) HSD11B1
SCHEMBL4500855 0.74 HSD11B1 (0.40) HSD11B1CYP26A1
SCHEMBL2208101 0.74 HSD11B1 (0.41) HSD11B1OPRM1ROCK2

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
US-20090264650-A1 Prophylactic/Therapeutic Agent for Diabetes TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-22 US disclosed
US-20090264650-A1 Prophylactic/Therapeutic Agent for Diabetes TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-22 US disclosed
EP-1864971-A1 PROPHYLACTIC/THERAPEUTIC AGENT FOR DIABETES Takeda Pharmaceutical Company Limited (JP) 2007-12-12 EP 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 1/4885OPRM1 3446/4885OPRD1 2377/4885

“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.