SCHEMBL2269811

SCHEMBL2269811

O=C(O)c1ccc(O[C@H](CC2CCCCC2)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 1/20 0.43
ADRB3 P13945 1/20 0.43
CYP3A4 P08684 1/20 0.43
SLC6A9 P48067 2/20 0.41
DPEP1 P16444 1/20 0.41
PPARD Q03181 1/20 0.41
MGLL Q99685 1/20 0.41
SLC6A4 P31645 3/20 0.41
HRH3 Q9Y5N1 1/20 0.41
APP P05067 1/20 0.41
PSEN1 P49768 1/20 0.41
PSEN2 P49810 1/20 0.41
APH1B Q8WW43 1/20 0.41
NCSTN Q92542 1/20 0.41
APH1A Q96BI3 1/20 0.41
PSENEN Q9NZ42 1/20 0.41
SLC6A2 P23975 2/20 0.40
SLC6A3 Q01959 2/20 0.40
RXRA P19793 1/20 0.40
RXRB P28702 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
SCHEMBL2269807 1.00 ADRB1 (0.43) ADRB1ADRB3CYP3A4SLC6A9DPEP1
SCHEMBL30958968 0.91 MGLL (0.48) ADRB1ADRB3CYP3A4SLC6A9MGLL
SCHEMBL2270898 0.89 CYP3A4 (0.43) CYP3A4SLC6A9MGLLSLC6A4HRH3
SCHEMBL2270901 0.89 CYP3A4 (0.43) CYP3A4SLC6A9MGLLSLC6A4HRH3
SCHEMBL2269123 0.89 PPARD (0.40) ADRB1ADRB3CYP3A4PPARDAPP
SCHEMBL2269129 0.89 PPARD (0.40) ADRB1ADRB3CYP3A4PPARDAPP
SCHEMBL30958955 0.88 BCL2L1 (0.46) CYP3A4SLC6A9SLC6A4SLC6A2SLC6A3
SCHEMBL2268588 0.86 GCGR (0.56) GCGR
SCHEMBL2274228 0.86 GCGR (0.56) GCGR
SCHEMBL2270267 0.86 GCGR (0.49) CYP3A4HTR1ACTSSGCGR

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 5 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
EP-1758859-A1 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2007-03-07 EP disclosed
WO-2005118542-A1 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2005-12-15 WO 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 ADRB1 98/4885ADRB3 122/4885CYP3A4 2394/4885

“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.