SCHEMBL2269646

SCHEMBL2269646

O[C@H](CC1CCCCC1)c1ccc(-c2ccccc2C(F)(F)F)cc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.48
DPP4 P27487 1/20 0.39
DPP7 Q9UHL4 1/20 0.39
SCN9A Q15858 1/20 0.39
IDO1 P14902 3/20 0.39
TDO2 P48775 3/20 0.39
SLC13A5 Q86YT5 1/20 0.39
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
PTPN1 P18031 1/20 0.39
FFAR4 Q5NUL3 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
TRPM8 Q7Z2W7 1/20 0.38
RXFP1 Q9HBX9 1/20 0.36
CNR1 P21554 1/20 0.36

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
SCHEMBL2269641 1.00 CNR2 (0.48) CNR2DPP4DPP7SCN9AIDO1
SCHEMBL2269649 1.00 CNR2 (0.48) CNR2DPP4DPP7SCN9AIDO1
SCHEMBL2269472 0.80 MGLL (0.43) IDO1TDO2CYP3A4
SCHEMBL2275107 0.80 MGLL (0.43) IDO1TDO2CYP3A4
SCHEMBL2275110 0.80 MGLL (0.43) IDO1TDO2CYP3A4
SCHEMBL2651171 0.78 PTPN1 (0.43) CNR2DPP4DPP7SCN9ASLC13A5
SCHEMBL2273226 0.77 APP (0.39) IDO1TDO2
SCHEMBL2277277 0.76 MGLL (0.46) SLC13A5
SCHEMBL2277272 0.76 MGLL (0.46) SLC13A5
SCHEMBL2277268 0.76 MGLL (0.46) SLC13A5

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 CNR2 207/4885DPP4 113/4885DPP7 139/4885

“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.