SCHEMBL4510498

SCHEMBL4510498

O=C(Nc1ccc(CC2CCN(C3C4CC5CC3CC(O)(C5)C4)C2=O)c(Cl)c1)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 5/20 0.51
PTGDR2 Q9Y5Y4 1/20 0.40
TRPV4 Q9HBA0 4/20 0.38
HIF1A Q16665 4/20 0.38
EPAS1 Q99814 4/20 0.38
CHRM4 P08173 1/20 0.37
CHRM1 P11229 1/20 0.37
EPHX2 P34913 1/20 0.37
NR1H4 Q96RI1 1/20 0.37
APP P05067 1/20 0.36
KCNQ3 O43525 1/20 0.36
KCNQ2 O43526 1/20 0.36
KCNE1 P15382 1/20 0.36
KCNQ1 P51787 1/20 0.36

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
SCHEMBL4517664 0.93 HSD11B1 (0.51) HSD11B1EPHX2
SCHEMBL4501901 0.91 HSD11B1 (0.60) HSD11B1PTGDR2CHRM1EPHX2
SCHEMBL4522938 0.89 HSD11B1 (0.49) HSD11B1
SCHEMBL4511346 0.88 HSD11B1 (0.51) HSD11B1EPHX2
SCHEMBL4498702 0.88 HSD11B1 (0.48) HSD11B1HIF1AEPAS1EPHX2
SCHEMBL13675566 0.87 HSD11B1 (0.50) HSD11B1
SCHEMBL4501696 0.86 HSD11B1 (0.49) HSD11B1EPHX2NR1H4
SCHEMBL4501204 0.86 HSD11B1 (0.56) HSD11B1EPHX2
SCHEMBL4515700 0.86 HSD11B1 (0.54) HSD11B1EPHX2
SCHEMBL4515087 0.85 HSD11B1 (0.49) 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 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 1/4885PTGDR2 1319/4885TRPV4 4328/4885

“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.