SCHEMBL2277277

SCHEMBL2277277

O[C@@H](CC1CCCCC1)c1ccc(-c2cccc(C(F)(F)F)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.46
KDM1A O60341 4/20 0.44
S1PR5 Q9H228 1/20 0.42
MAOB P27338 4/20 0.42
PNMT P11086 1/20 0.42
OPRM1 P35372 1/20 0.41
OPRK1 P41145 1/20 0.41
OPRL1 P41146 1/20 0.41
MAOA P21397 3/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
NAAA Q02083 1/20 0.41
SPHK2 Q9NRA0 1/20 0.41
SPHK1 Q9NYA1 1/20 0.41
KIF11 P52732 1/20 0.40
SLC13A5 Q86YT5 1/20 0.40
PIM1 P11309 1/20 0.39

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
SCHEMBL2277268 1.00 MGLL (0.46) MGLLKDM1AS1PR5MAOBPNMT
SCHEMBL2277272 1.00 MGLL (0.46) MGLLKDM1AS1PR5MAOBPNMT
SCHEMBL2275291 0.88 MGLL (0.51) MGLLPNMTMEN1KMT2AKIF11
SCHEMBL2275107 0.87 MGLL (0.43) MGLLMEN1KMT2AKIF11
SCHEMBL2269472 0.87 MGLL (0.43) MGLLMEN1KMT2AKIF11
SCHEMBL2275110 0.87 MGLL (0.43) MGLLMEN1KMT2AKIF11
SCHEMBL2654112 0.78 MAOB (0.45) MGLLKDM1AS1PR5MAOBMAOA
SCHEMBL30958959 0.77 MGLL (0.40) MGLL
SCHEMBL30958966 0.77 MGLL (0.40) MGLL
SCHEMBL2269649 0.76 CNR2 (0.48) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 MGLL 508/4885KDM1A 2498/4885S1PR5 403/4885

“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.