SCHEMBL3106477

SCHEMBL3106477

CN(CCC(=O)O)C(=O)c1ccc(NC(c2cc(-c3ccc(C(F)(F)F)cc3)oc2CS(C)(=O)=O)C2CCCCC2)cc1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GLP1R P43220 1/20 0.37
GCGR P47871 1/20 0.37
GIPR P48546 1/20 0.37
GCG P01275 6/20 0.37
MCHR1 Q99705 5/20 0.37
TRPV4 Q9HBA0 3/20 0.34
AKR1C3 P42330 1/20 0.33
PPARD Q03181 1/20 0.33
PLAU P00749 1/20 0.33
HPN P05981 1/20 0.33
LMNA P02545 2/20 0.33
TP53 P04637 2/20 0.33
MAPT P10636 2/20 0.33

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
SCHEMBL3089930 0.92 MCHR1 (0.34) GLP1RGCGRGIPRGCGMCHR1
SCHEMBL3104110 0.91 GLP1R (0.39) GLP1RGCGRGIPRGCGMCHR1
SCHEMBL3109960 0.91 TEAD4 (0.35) GCGMCHR1TRPV4AKR1C3MAPT
SCHEMBL3093829 0.88 GCGR (0.49) GLP1RGCGRGIPRGCG
SCHEMBL3107023 0.88 GLP1R (0.39) GLP1RGCGRGIPRGCGMCHR1
SCHEMBL3105415 0.88 GLP1R (0.36) GLP1RGCGRGIPRGCGMCHR1
SCHEMBL3113352 0.88 GCGR (0.36) GLP1RGCGRGIPRGCGMCHR1
SCHEMBL3102097 0.85 GLP1R (0.39) GLP1RGCGRGIPRGCGMCHR1
SCHEMBL3089995 0.84 MCHR1 (0.36) GLP1RGCGRGIPRGCGMCHR1
SCHEMBL3095091 0.84 L3MBTL1 (0.35) GCGMCHR1TRPV4TP53MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2210876-B1 HETEROCYCLIC COMPOUND AS GLUCAGON ANTAGONIST TAKEDA PHARMACEUTICAL (JP) 2015-05-20 EP disclosed
US-8309580-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-11-13 US disclosed
US-8309580-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-11-13 US disclosed
US-20100256156-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-10-07 US disclosed
US-20100256156-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-10-07 US disclosed
EP-2210876-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-07-28 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-20100256156-A1 HETEROCYCLIC COMPOUND GLP1R, GPR119, GCGR GLP1R 1/4885GCGR 3/4885GIPR 7/4885

“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.