SCHEMBL11946862

SCHEMBL11946862

[C-]#[N+]c1ccc(-n2ccc(OC3CCN(C(=O)OC(C)(C)C)CC3)cc2=O)cc1F

nearest known ligand 0.65

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 13/20 0.65
▸ NPBWR1 P48145 1/20 0.40
▸ MCHR1 Q99705 1/20 0.40
▸ HRH3 Q9Y5N1 1/20 0.40
▸ PDE4D Q08499 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ THRB P10828 1/20 0.39

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
SCHEMBL2336693 0.84 GPR119 (0.65) GPR119
SCHEMBL11946847 0.83 GPR119 (0.59) GPR119HRH3
SCHEMBL2335234 0.79 GPR119 (1.00) GPR119
SCHEMBL12234560 0.77 GPR119 (0.45) GPR119NPBWR1MCHR1PDE4D
SCHEMBL12234549 0.77 GPR119 (0.44) GPR119NPBWR1MCHR1PDE4D
SCHEMBL12234554 0.77 GPR119 (0.42) GPR119NPBWR1MCHR1PDE4D
SCHEMBL2333811 0.77 GPR119 (0.67) GPR119NPBWR1MCHR1HRH3
SCHEMBL2333369 0.76 GPR119 (0.59) GPR119
SCHEMBL2330950 0.76 GPR119 (0.93) GPR119
SCHEMBL2774468 0.74 GPR119 (0.71) GPR119HRH3PDE4D

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-8513424-B2 Pyridone GPR119 G protein-coupled receptor agonists BRISTOL-MYERS SQUIBB COMPANY (US) 2013-08-20 — — US disclosed
US-20120258959-A1 PYRIDONE GPR119 G PROTEIN-COUPLED RECEPTOR AGONISTS BRISTOL-MYERS SQUIBB COMPANY 2012-10-11 — — US disclosed
US-8232404-B2 Pyridone GPR119 G protein-coupled receptor agonists BRISTOL-MYERS SQUIBB COMPANY (US) 2012-07-31 — — US disclosed
US-20110245227-A1 PYRIDONE GPR119 G PROTEIN-COUPLED RECEPTOR AGONISTS BRISTOL-MYERS SQUIBB COMPANY 2011-10-06 — — US disclosed
US-8003796-B2 Pyridone GPR119 G protein-coupled receptor agonists BRISTOL-MYERS SQUIBB COMPANY (US) 2011-08-23 — — US disclosed
US-20090023702-A1 PYRIDONE GPR119 G PROTEIN-COUPLED RECEPTOR AGONISTS BRISTOL-MYERS SQUIBB COMPANY 2009-01-22 — — 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 (3 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-20120258959-A1 PYRIDONE GPR119 G PROTEIN-COUPLED RECEPTOR AGONISTS GPR119, GPR65, GPR27 GPR119 1/4885NPBWR1 266/4885MCHR1 275/4885
US-20110245227-A1 PYRIDONE GPR119 G PROTEIN-COUPLED RECEPTOR AGONISTS GPR119, GPR65, GPR27 GPR119 1/4885NPBWR1 266/4885MCHR1 275/4885
US-20090023702-A1 PYRIDONE GPR119 G PROTEIN-COUPLED RECEPTOR AGONISTS GPR119, GPR65, GPR27 GPR119 1/4885NPBWR1 273/4885MCHR1 278/4885

“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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