SCHEMBL3333673

SCHEMBL3333673

CCCC[C@@H](Oc1cc(C)c(-c2ccc(C(F)(F)F)cc2)c(C)c1)c1ccc(C(=O)NCCC(=O)OC)s1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GCGR P47871 11/20 0.46
GLP1R P43220 2/20 0.40
CHRM5 P08912 1/20 0.40
GCG P01275 7/20 0.39
GIPR P48546 1/20 0.36
PPARD Q03181 1/20 0.35
PPARA Q07869 1/20 0.35
MAPT P10636 1/20 0.35
MCL1 Q07820 1/20 0.34

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
SCHEMBL2652770 1.00 GCGR (0.46) GCGRGLP1RCHRM5GCGGIPR
SCHEMBL3332512 0.95 GCGR (0.47) GCGRGLP1RCHRM5GCGGIPR
SCHEMBL2653082 0.95 GCGR (0.47) GCGRGLP1RCHRM5GCGGIPR
SCHEMBL2660516 0.93 GCGR (0.51) GCGRGLP1RCHRM5GCGMAPT
SCHEMBL2654306 0.93 GCGR (0.51) GCGRGLP1RCHRM5GCGMAPT
SCHEMBL2652584 0.93 GCGR (0.55) GCGRGLP1RCHRM5GCGGIPR
SCHEMBL2659819 0.93 GCGR (0.55) GCGRGLP1RCHRM5GCGGIPR
SCHEMBL2652264 0.92 GCGR (0.55) GCGRGLP1RCHRM5GCGGIPR
SCHEMBL2661268 0.92 GCGR (0.55) GCGRGLP1RCHRM5GCGGIPR
SCHEMBL2653930 0.92 GCGR (0.47) GCGRGLP1RCHRM5GCGGIPR

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
US-8084489-B2 Glucagon receptor antagonists, preparation and therapeutic uses ELI LILLY AND COMPANY (US) 2011-12-27 US disclosed
US-20100137417-A1 Glucagon Receptor Antagonists, Preparation and Therapeutic Uses ELI LILLY AND COMPANY 2010-06-03 US disclosed
EP-1856090-B1 SUBSTITUTED THIOPHENE DERIVATIVES AS GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES LILLY CO ELI (US) 2009-10-14 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-20100137417-A1 Glucagon Receptor Antagonists, Preparation and Therapeutic Uses GLP1R, GCGR, GIPR GCGR 2/4885GLP1R 1/4885CHRM5 691/4885

“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.