SCHEMBL2267261

SCHEMBL2267261

N#CCc1ccc(-c2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 8/20 0.57
MAOB P27338 1/20 0.52
NAAA Q02083 1/20 0.48
TAAR1 Q96RJ0 1/20 0.44
RXRA P19793 2/20 0.43
RXRG P48443 2/20 0.43
RXRB P28702 1/20 0.43
IDO1 P14902 2/20 0.42
MIF P14174 1/20 0.41
DAO P14920 1/20 0.41
FDFT1 P37268 1/20 0.41

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
SCHEMBL246959 0.94 TAAR1 (0.48) KIF11MAOBNAAATAAR1IDO1
SCHEMBL10568208 0.88 SRD5A2 (0.46) KIF11MAOBNAAATAAR1IDO1
SCHEMBL7594667 0.87 RXRA (0.54) KIF11MAOBNAAARXRARXRG
SCHEMBL21021174 0.83 MAOB (0.59) KIF11MAOBNAAARXRARXRG
SCHEMBL23137321 0.82 MMP3 (0.50) RXRARXRGRXRB
SCHEMBL196175 0.82 MMP3 (0.50) RXRARXRGRXRB
SCHEMBL6260766 0.80 CYP11B1 (0.46) KIF11MAOBNAAAIDO1MIF
SCHEMBL21100798 0.80 RXRA (0.46) KIF11MAOBNAAARXRARXRG
SCHEMBL15125629 0.80 KIF11 (0.57) KIF11RXRARXRGRXRB
SCHEMBL2276123 0.79 CASR (0.45) KIF11MAOBNAAARXRARXRG

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
US-20230302162-A1 RADIOLABELED DARAPLADIB AND ANALOGS THEREOF AND THEIR USE AS IMAGING COMPOUNDS INSERM (INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE) (FR) 2023-09-28 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
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 (2 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 KIF11 3904/4885MAOB 3179/4885NAAA 2159/4885
US-20230302162-A1 RADIOLABELED DARAPLADIB AND ANALOGS THEREOF AND THEIR USE AS IMAGING COMPOUNDS PLA2G4B, PLA2G1B, PLA2G12B KIF11 4787/4885MAOB 1032/4885NAAA 509/4885

“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.