SCHEMBL2268709

SCHEMBL2268709

COC=CCCc1ccc(-c2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.50
TAAR1 Q96RJ0 1/20 0.43
IDO1 P14902 2/20 0.42
KIF11 P52732 6/20 0.41
MIF P14174 1/20 0.41
FDFT1 P37268 2/20 0.40
AGXT P21549 1/20 0.40
DAO P14920 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL17748403 0.80 KCNH2 (0.42) DAOMEN1KMT2A
SCHEMBL17748402 0.80 KCNH2 (0.42) DAOMEN1KMT2A
SCHEMBL755405 0.76 TAAR1 (0.42) MAOBTAAR1IDO1AGXTMEN1
SCHEMBL755404 0.76 TAAR1 (0.42) MAOBTAAR1IDO1AGXTMEN1
SCHEMBL14274243 0.75 MAOB (0.58) MAOBTAAR1IDO1KIF11MIF
SCHEMBL11932723 0.75 MAOB (0.58) MAOBTAAR1KIF11MIFFDFT1
SCHEMBL23188649 0.74 CYP1A2 (0.43) TAAR1IDO1AGXT
SCHEMBL18540208 0.72 MAOB (0.42) MAOBTAAR1IDO1KIF11FDFT1
SCHEMBL5161038 0.72 TAAR1 (0.47) MAOBTAAR1IDO1MIFFDFT1
SCHEMBL5085202 0.72 GPR52 (0.47) MAOB

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 MAOB 3179/4885TAAR1 544/4885IDO1 2336/4885

“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.