SCHEMBL4514016

SCHEMBL4514016

COC(=O)CCc1ccc(CC2CCN(C3CCC(C)(O)CC3)C2=O)c(Cl)c1

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 13/20 0.36
HSD11B1 P28845 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
P2RX7 Q99572 2/20 0.34

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
SCHEMBL13675623 0.92 HSD11B1 (0.35) IDH1HSD11B1HRH3P2RX7
SCHEMBL13674510 0.84 ALDH1A1 (0.38) P2RX7
SCHEMBL13674485 0.83 OPRM1 (0.39) HSD11B1P2RX7
SCHEMBL4510197 0.83 OPRM1 (0.39) HSD11B1P2RX7
SCHEMBL13674513 0.83 HSD11B1 (0.40) HSD11B1P2RX7
SCHEMBL13674486 0.82 P2RX7 (0.42) HSD11B1P2RX7
SCHEMBL3001590 0.82 P2RX7 (0.42) HSD11B1P2RX7
SCHEMBL3001587 0.82 P2RX7 (0.42) HSD11B1P2RX7
SCHEMBL3001594 0.82 P2RX7 (0.42) HSD11B1P2RX7
SCHEMBL4502408 0.81 HSD11B1 (0.39) HSD11B1P2RX7

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 IDH1 278/4885HSD11B1 1/4885HRH3 3961/4885

“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.