SCHEMBL4513997

SCHEMBL4513997

O=C1CCC(N2CCC(Cc3ccc(O)cc3Cl)C2=O)CC1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.41
CYP26A1 O43174 6/20 0.37
P2RX7 Q99572 3/20 0.33
CYP19A1 P11511 2/20 0.33
ESR2 Q92731 4/20 0.33
ROCK2 O75116 1/20 0.32
FFAR1 O14842 2/20 0.31
ESR1 P03372 3/20 0.31

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
SCHEMBL4512444 0.89 HSD11B1 (0.54) HSD11B1CYP26A1P2RX7ESR2FFAR1
SCHEMBL2208659 0.88 HSD11B1 (0.43) HSD11B1P2RX7FFAR1
SCHEMBL2206955 0.87 P2RX7 (0.43) HSD11B1P2RX7
SCHEMBL4512383 0.86 HSD11B1 (0.40) HSD11B1CYP26A1P2RX7ESR2ROCK2
SCHEMBL2208101 0.86 HSD11B1 (0.41) HSD11B1P2RX7ROCK2
SCHEMBL12432122 0.86 HSD11B1 (0.41) HSD11B1P2RX7ROCK2
SCHEMBL4511421 0.86 HSD11B1 (0.41) HSD11B1CYP26A1P2RX7ROCK2
SCHEMBL14365228 0.85 HSD11B1 (0.39) HSD11B1CYP26A1P2RX7ESR2ROCK2
SCHEMBL4502408 0.84 HSD11B1 (0.39) HSD11B1CYP26A1P2RX7ESR2ESR1
SCHEMBL2204952 0.84 OPRM1 (0.42) HSD11B1CYP26A1P2RX7

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 5 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
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 1/4885CYP26A1 66/4885P2RX7 3946/4885

“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.