SCHEMBL2269629

SCHEMBL2269629

Cc1cc(-c2ccc(C(F)(F)F)cc2)ccc1C(O)CC1CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.43
PDE2A O00408 2/20 0.39
MCHR1 Q99705 5/20 0.38
IDO1 P14902 3/20 0.38
TDO2 P48775 3/20 0.38
DPEP1 P16444 1/20 0.36
KIF11 P52732 1/20 0.36
APP P05067 1/20 0.36
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36
CTSD P07339 1/20 0.36
GABBR2 O75899 1/20 0.34
GABBR1 Q9UBS5 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
SCHEMBL2269472 0.80 MGLL (0.43) MGLLMCHR1IDO1TDO2DPEP1
SCHEMBL2275107 0.80 MGLL (0.43) MGLLMCHR1IDO1TDO2DPEP1
SCHEMBL2275110 0.80 MGLL (0.43) MGLLMCHR1IDO1TDO2DPEP1
SCHEMBL2275291 0.79 MGLL (0.51) MGLLIDO1TDO2KIF11APP
SCHEMBL2652083 0.78 TRPV3 (0.41) MGLLPDE2AMCHR1KIF11GABBR2
SCHEMBL2273226 0.78 APP (0.39) MGLLIDO1TDO2DPEP1APP
SCHEMBL2270286 0.77 PSEN1 (0.48) PDE2AKIF11PSEN1PSEN2APH1B
SCHEMBL2271645 0.77 PDE2A (0.46) PDE2AKIF11PSEN1PSEN2APH1B
SCHEMBL2271640 0.77 PDE2A (0.46) PDE2AKIF11PSEN1PSEN2APH1B
SCHEMBL2270289 0.77 PSEN1 (0.48) PDE2AKIF11PSEN1PSEN2APH1B

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 MGLL 508/4885PDE2A 386/4885MCHR1 258/4885

“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.