SCHEMBL720461

SCHEMBL720461

COC(=O)CC(=O)CN1CCOCC1.COc1ccc(-n2cc(C(Nc3ccc(C(=O)NCCC(=O)O)cc3)C3CCCCC3)c(CN3CCOCC3)n2)cc1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GCG P01275 9/20 0.42
GCGR P47871 4/20 0.42
GIPR P48546 2/20 0.42
GLP1R P43220 1/20 0.42
KDM4E B2RXH2 1/20 0.40
KDM5B Q9UGL1 2/20 0.40
HIF1A Q16665 1/20 0.39
EPAS1 Q99814 1/20 0.39
CTSL P07711 1/20 0.39
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
TSHR P16473 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
SCHEMBL719474 0.94 GCG (0.47) GCGGCGRGIPRGLP1RKDM4E
SCHEMBL717442 0.88 KDM4E (0.42) GCGGCGRGIPRGLP1RKDM4E
SCHEMBL717935 0.84 GCG (0.51) GCGGCGRGIPRGLP1R
SCHEMBL716584 0.83 HIF1A (0.40) GCGKDM4EKDM5BHIF1AEPAS1
SCHEMBL718408 0.83 GCG (0.51) GCGGCGRGIPRGLP1R
SCHEMBL720849 0.81 GCGR (0.53) GCGGCGRGIPRGLP1R
SCHEMBL718915 0.81 GCG (0.55) GCGGCGRGIPRGLP1R
SCHEMBL718348 0.81 GCG (0.48) GCGGCGRGIPRGLP1R
SCHEMBL718329 0.79 GCG (0.51) GCGGCGRGIPRGLP1R
SCHEMBL717731 0.79 HIF1A (0.38) KDM4EKDM5BHIF1AEPAS1CTSL

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120053173-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-01 US 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-20120053173-A1 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP GCG 35/4885GCGR 90/4885GIPR 41/4885

“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.