SCHEMBL2277499

SCHEMBL2277499

CC[C@@H](O)c1ccc(-c2ccc(C(F)(F)F)cc2)nc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.44
MAOB P27338 1/20 0.44
PDE2A O00408 2/20 0.42
TRPV3 Q8NET8 4/20 0.42
PPARD Q03181 2/20 0.42
FAAH O00519 1/20 0.42
KIF11 P52732 1/20 0.40
TRPV1 Q8NER1 1/20 0.40
SCN9A Q15858 3/20 0.39
IDO1 P14902 1/20 0.39
TDO2 P48775 1/20 0.39
BRS3 P32247 1/20 0.39
KCNH2 Q12809 1/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
PPARA Q07869 1/20 0.38
ALOX5AP P20292 1/20 0.38
FEN1 P39748 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
SCHEMBL2270298 1.00 KDM1A (0.44) KDM1AMAOBPDE2ATRPV3PPARD
SCHEMBL2277500 1.00 KDM1A (0.44) KDM1AMAOBPDE2ATRPV3PPARD
SCHEMBL2272998 0.89 TRPV3 (0.44) KDM1AMAOBTRPV3PPARDFAAH
SCHEMBL2272994 0.89 TRPV3 (0.44) KDM1AMAOBTRPV3PPARDFAAH
SCHEMBL2272989 0.89 TRPV3 (0.44) KDM1AMAOBTRPV3PPARDFAAH
SCHEMBL2274526 0.88 KDM1A (0.41) KDM1AMAOBTRPV3PPARDFAAH
SCHEMBL2274518 0.88 KDM1A (0.41) KDM1AMAOBTRPV3PPARDFAAH
SCHEMBL2274520 0.88 KDM1A (0.41) KDM1AMAOBTRPV3PPARDFAAH
SCHEMBL2274053 0.87 TLR8 (0.43) KDM1AMAOBTRPV3PPARDFAAH
SCHEMBL2274058 0.87 TLR8 (0.43) KDM1AMAOBTRPV3PPARDFAAH

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 3 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

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 KDM1A 2498/4885MAOB 3179/4885PDE2A 386/4885

“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.