SCHEMBL4498702

SCHEMBL4498702

O=C(Nc1ccc(CC2CCN(C3C4CC5CC3CC(O)(C5)C4)C2=O)c(Cl)c1)C1CCN(Cc2ccc(C(F)(F)F)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.48
PRKAB2 O43741 2/20 0.42
PRKAG1 P54619 2/20 0.42
PRKAA2 P54646 2/20 0.42
PRKAA1 Q13131 2/20 0.42
PRKAG3 Q9UGI9 2/20 0.42
PRKAG2 Q9UGJ0 2/20 0.42
PRKAB1 Q9Y478 2/20 0.42
KCNH2 Q12809 2/20 0.41
MCHR1 Q99705 2/20 0.41
UBE2M P61081 1/20 0.40
DCUN1D1 Q96GG9 1/20 0.40
CTNNB1 P35222 5/20 0.39
TCF7L2 Q9NQB0 5/20 0.39
ACKR3 P25106 3/20 0.39
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 1/20 0.39
EPHX2 P34913 1/20 0.38
HIF1A Q16665 1/20 0.38
EPAS1 Q99814 1/20 0.38

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 0.88 HSD11B1 (0.51) HSD11B1EPHX2
SCHEMBL4510498 0.88 HSD11B1 (0.51) HSD11B1EPHX2HIF1AEPAS1
SCHEMBL4514945 0.85 HSD11B1 (0.53) HSD11B1EPHX2
SCHEMBL4505594 0.85 HSD11B1 (0.53) HSD11B1EPHX2
SCHEMBL13674498 0.85 HSD11B1 (0.53) HSD11B1HSP90AA1HSP90AB1EPHX2
Hydrochloric Acid SCHEMBL4512397 0.84 HSD11B1 (0.52) HSD11B1HSP90AA1HSP90AB1EPHX2
SCHEMBL4511346 0.83 HSD11B1 (0.51) HSD11B1UBE2MDCUN1D1EPHX2
SCHEMBL4515676 0.83 HSD11B1 (0.47) HSD11B1EPHX2
SCHEMBL13675566 0.82 HSD11B1 (0.50) HSD11B1
SCHEMBL4501696 0.82 HSD11B1 (0.49) HSD11B1KCNH2EPHX2

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 1/4885PRKAB2 1700/4885PRKAG1 1139/4885

“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.