SCHEMBL2273401

SCHEMBL2273401

COC(=O)CCNC(=O)c1ccc(OC(CCCC(C)C)c2ccc(-c3ccc(C(C)C)cc3)c(C)c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GCGR P47871 13/20 0.42
GCG P01275 6/20 0.41
CHRM5 P08912 1/20 0.40
GLP1R P43220 1/20 0.40
ADCY6 O43306 1/20 0.39
ADCY3 O60266 1/20 0.39
ADCY9 O60503 1/20 0.39
ADCY5 O95622 1/20 0.39
ADCY8 P40145 1/20 0.39
ADCY7 P51828 1/20 0.39
ADCY2 Q08462 1/20 0.39
ADCY1 Q08828 1/20 0.39
ADCY4 Q8NFM4 1/20 0.39
ACACB O00763 1/20 0.39
ACACA Q13085 1/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL2659497 0.97 GCGR (0.47) GCGRGCGCHRM5GLP1RADCY6
SCHEMBL2269796 0.92 GCGR (0.50) GCGRGCGCHRM5GLP1RADCY6
SCHEMBL2276106 0.92 GCGR (0.50) GCGRGCGCHRM5GLP1RADCY6
SCHEMBL1765449 0.87 GCGR (0.47) GCGRGCGCHRM5GLP1RADCY6
SCHEMBL1765609 0.87 GCGR (0.46) GCGRGCGCHRM5GLP1RACACB
SCHEMBL2269908 0.86 GCGR (0.43) GCGRGCGCHRM5GLP1R
SCHEMBL2270323 0.85 GCGR (0.60) GCGRGCGCHRM5GLP1RADCY6
SCHEMBL2271252 0.85 GCGR (0.60) GCGRGCGCHRM5GLP1RADCY6
SCHEMBL2275353 0.85 GCGR (0.56) GCGRGCGCHRM5GLP1R
SCHEMBL1765722 0.80 GCGR (0.52) GCGRGCGCHRM5GLP1R

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
EP-1758859-B1 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES LILLY CO ELI (US) 2013-07-17 EP disclosed
US-7989457-B2 Used to treat diabetic and other glucagon related metabolic disorders such as obesity, hyperglycemia, atherosclerosis, ischemic heart disease, stroke, neuropathy, and wound healing; (R,S)-Methanesulfonic acid 2-(3-methyl-4'-trifluoromethyl-biphenyl-4-yl)-propyl ester ELI LILLY AND COMPANY (US) 2011-08-02 US disclosed
US-20080125468-A1 Glucagon Receptor Antagonists, Preparation and Therapeutic Uses ELI LILLY AND COMPANY 2008-05-29 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-20080125468-A1 Glucagon Receptor Antagonists, Preparation and Therapeutic Uses GLP1R, GCGR, GIPR GCGR 2/4885GCG 5/4885CHRM5 663/4885

“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.