SCHEMBL4525933

SCHEMBL4525933

CC1(O)CCC(N2CCC(Cc3ccc(Oc4ccccc4)cc3Cl)C2=O)CC1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.41
BTK Q06187 1/20 0.39
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
OPRK1 P41145 1/20 0.37
TNK2 Q07912 2/20 0.35
FFAR1 O14842 1/20 0.34
PPARG P37231 3/20 0.33
PPARA Q07869 3/20 0.33
HRH3 Q9Y5N1 2/20 0.33
CCR5 P51681 2/20 0.33
ROCK2 O75116 1/20 0.33
GRIA2 P42262 1/20 0.33

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
SCHEMBL4510197 0.89 OPRM1 (0.39) HSD11B1BTKOPRM1OPRD1OPRK1
SCHEMBL13674485 0.89 OPRM1 (0.39) HSD11B1BTKOPRM1OPRD1OPRK1
SCHEMBL4509399 0.87 MCL1 (0.39) HSD11B1FFAR1PPARG
SCHEMBL3002570 0.86 HSD11B1 (0.57) HSD11B1OPRM1OPRD1OPRK1FFAR1
SCHEMBL4514766 0.86 HSD11B1 (0.40) HSD11B1OPRM1OPRD1OPRK1FFAR1
SCHEMBL4525019 0.86 FFAR4 (0.41) HSD11B1
SCHEMBL4523771 0.85 HSD11B1 (0.45) HSD11B1OPRM1OPRD1OPRK1FFAR1
SCHEMBL4512149 0.85 HSD11B1 (0.35) HSD11B1FFAR1
SCHEMBL4521367 0.85 HSD11B1 (0.37) HSD11B1OPRM1OPRD1OPRK1ROCK2
SCHEMBL4505225 0.85 HSP90AA1 (0.39) HSD11B1PPARGPPARA

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 4 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
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 1/4885BTK 3901/4885OPRM1 3446/4885

“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.