SCHEMBL14018166

SCHEMBL14018166

N#C[C@H]1[C@@H]2Oc3cc(Oc4ccc(C(F)(F)F)cc4OC(F)F)ccc3[C@H]12

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 3/20 0.48
▸ KCNH2 Q12809 5/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CACNA1C Q13936 1/20 0.41
▸ L3MBTL1 Q9Y468 3/20 0.33
▸ MAPT P10636 2/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ HTR2A P28223 4/20 0.33
▸ SLC6A4 P31645 4/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ BRAF P15056 3/20 0.32
▸ RAF1 P04049 2/20 0.32
▸ SCN8A Q9UQD0 2/20 0.31
▸ SCN10A Q9Y5Y9 2/20 0.31
▸ LMNA P02545 1/20 0.31
▸ ATM Q13315 1/20 0.31
▸ SCN9A Q15858 2/20 0.31

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
SCHEMBL4820432 0.81 FFAR1 (0.74) FFAR1KCNH2CYP2C9CACNA1CMAPT
SCHEMBL4864532 0.81 FFAR1 (0.74) FFAR1KCNH2CYP2C9CACNA1CMAPT
SCHEMBL4864522 0.81 FFAR1 (0.74) FFAR1KCNH2CYP2C9CACNA1CMAPT
SCHEMBL4827290 0.80 FFAR1 (0.61) FFAR1KCNH2CYP2C9CACNA1CL3MBTL1
SCHEMBL14391979 0.78 FFAR1 (0.44) FFAR1KCNH2CYP2C9CACNA1CBRAF
SCHEMBL4819737 0.78 FFAR1 (0.44) FFAR1KCNH2CYP2C9CACNA1CBRAF
SCHEMBL4819748 0.78 FFAR1 (0.44) FFAR1KCNH2CYP2C9CACNA1CBRAF
SCHEMBL14018206 0.77 FFAR1 (0.57) FFAR1KCNH2CYP2C9CACNA1CL3MBTL1
SCHEMBL14018083 0.77 FFAR1 (0.57) FFAR1KCNH2CYP2C9CACNA1CL3MBTL1
SCHEMBL4819528 0.77 FFAR1 (0.57) FFAR1KCNH2CYP2C9CACNA1CL3MBTL1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7442808-B2 e.g. 3-(indan-1-yloxy)-8-(oxazolidin-2,4-dion-5-yl)-5,6,7,8-tetrahydroquinoline; with other active ingredients; agonists of G-protein coupled receptor 40 (GPR40); antidiabetic, hypoglycemic agent; non-insulin dependent diabetes, obesity, hyperlipemia MERCK & CO., INC. (US) 2008-10-28 — — US disclosed
US-7442808-B2 e.g. 3-(indan-1-yloxy)-8-(oxazolidin-2,4-dion-5-yl)-5,6,7,8-tetrahydroquinoline; with other active ingredients; agonists of G-protein coupled receptor 40 (GPR40); antidiabetic, hypoglycemic agent; non-insulin dependent diabetes, obesity, hyperlipemia MERCK & CO., INC. (US) 2008-10-28 — — US disclosed
WO-2007136572-A2 ANTIDIABETIC BICYCLIC COMPOUNDS MERCK & CO., INC. (US) 2007-11-29 — — WO disclosed
WO-2007136573-A2 ANTIDIABETIC BICYCLIC COMPOUNDS MERCK & CO., INC. (US) 2007-11-29 — — WO disclosed
US-20070265332-A1 Antidiabetic bicyclic compounds MERCK SHARP & DOHME LLC 2007-11-15 — — US disclosed
US-20070265332-A1 Antidiabetic bicyclic compounds MERCK SHARP & DOHME LLC 2007-11-15 — — 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-20070265332-A1 Antidiabetic bicyclic compounds GPR119, GPR65, FFAR4 FFAR1 9/4885KCNH2 2585/4885CYP2C9 573/4885

“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.

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