SCHEMBL2272989

SCHEMBL2272989

CCCC(O)c1ccc(-c2ccc(C(F)(F)F)cc2)nc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TRPV3 Q8NET8 6/20 0.44
KDM1A O60341 1/20 0.42
MAOB P27338 1/20 0.42
PPARD Q03181 2/20 0.41
FAAH O00519 1/20 0.40
KIF11 P52732 1/20 0.39
SCN9A Q15858 3/20 0.38
IDO1 P14902 1/20 0.38
TDO2 P48775 1/20 0.38
BRS3 P32247 1/20 0.37
KCNH2 Q12809 1/20 0.37
PPARA Q07869 1/20 0.37
ALOX5AP P20292 1/20 0.37
FEN1 P39748 1/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
CTSS P25774 1/20 0.37
CTSK P43235 1/20 0.37

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
SCHEMBL2272998 1.00 TRPV3 (0.44) TRPV3KDM1AMAOBPPARDFAAH
SCHEMBL2272994 1.00 TRPV3 (0.44) TRPV3KDM1AMAOBPPARDFAAH
SCHEMBL2274520 0.93 KDM1A (0.41) TRPV3KDM1AMAOBPPARDFAAH
SCHEMBL2274518 0.93 KDM1A (0.41) TRPV3KDM1AMAOBPPARDFAAH
SCHEMBL2274526 0.93 KDM1A (0.41) TRPV3KDM1AMAOBPPARDFAAH
SCHEMBL2274058 0.92 TLR8 (0.43) TRPV3KDM1AMAOBPPARDFAAH
SCHEMBL2274048 0.92 TLR8 (0.43) TRPV3KDM1AMAOBPPARDFAAH
SCHEMBL2274053 0.92 TLR8 (0.43) TRPV3KDM1AMAOBPPARDFAAH
SCHEMBL30357878 0.92 KIF11 (0.44) TRPV3KDM1AMAOBPPARDFAAH
SCHEMBL2275192 0.91 RAB9A (0.43) TRPV3KDM1AMAOBPPARDFAAH

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 8 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-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-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
US-20080125468-A1 Glucagon Receptor Antagonists, Preparation and Therapeutic Uses ELI LILLY AND COMPANY 2008-05-29 US disclosed
US-20080125468-A1 Glucagon Receptor Antagonists, Preparation and Therapeutic Uses ELI LILLY AND COMPANY 2008-05-29 US 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 TRPV3 999/4885KDM1A 2498/4885MAOB 3179/4885

“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.