SCHEMBL2275360

SCHEMBL2275360

CC[C@@H](Oc1ccc(C(=O)NCCC(=O)OC(C)(C)C)cc1)c1ccc(Br)cc1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GCGR P47871 11/20 0.50
ALDH1A1 P00352 2/20 0.42
NPC1 O15118 1/20 0.42
HPGD P15428 1/20 0.42
RAB9A P51151 1/20 0.42
GCG P01275 5/20 0.42
KMT2A Q03164 1/20 0.40

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
SCHEMBL2270062 0.88 GCGR (0.54) GCGRNPC1RAB9AGCG
SCHEMBL14054306 0.84 NPC1 (0.52) ALDH1A1NPC1HPGDRAB9AKMT2A
SCHEMBL2273947 0.83 GCGR (0.47) GCGRALDH1A1NPC1RAB9AGCG
SCHEMBL1765616 0.81 GCGR (0.56) GCGRGCG
SCHEMBL1765734 0.79 GCGR (0.55) GCGRALDH1A1NPC1RAB9AGCG
SCHEMBL1765771 0.78 GCG (0.50) GCGRGCG
SCHEMBL2271776 0.78 GCGR (0.54) GCGRGCG
SCHEMBL2275366 0.78 GCGR (0.47) GCGRALDH1A1NPC1HPGDRAB9A
SCHEMBL2275356 0.78 GCGR (0.47) GCGRALDH1A1NPC1HPGDRAB9A
SCHEMBL1765112 0.78 GCG (0.49) GCGRGCG

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 2/4885ALDH1A1 2897/4885NPC1 2621/4885

“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.