SCHEMBL12234560

SCHEMBL12234560

[C-]#[N+]c1ccc(-n2nc(CO)c(OC3CCN(C(=O)OC(C)(C)C)CC3)cc2=O)cc1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 12/20 0.45
▸ NPBWR1 P48145 1/20 0.42
▸ MCHR1 Q99705 1/20 0.42
▸ PDE4D Q08499 3/20 0.42
▸ PDE4B Q07343 3/20 0.42
▸ PDE4A P27815 2/20 0.42
▸ PDE4C Q08493 2/20 0.42
▸ CACNB4 O00305 2/20 0.39
▸ CACNA1A O00555 2/20 0.39
▸ CACNA1G O43497 2/20 0.39
▸ CACNG3 O60359 2/20 0.39
▸ CACNA1F O60840 2/20 0.39
▸ CACNA1H O95180 2/20 0.39
▸ CACNB3 P54284 2/20 0.39
▸ CACNA2D1 P54289 2/20 0.39
▸ CACNG7 P62955 2/20 0.39
▸ CACNA1B Q00975 2/20 0.39
▸ CACNA1D Q01668 2/20 0.39
▸ CACNB1 Q02641 2/20 0.39
▸ CACNG1 Q06432 2/20 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
SCHEMBL12234549 0.88 GPR119 (0.44) GPR119NPBWR1MCHR1PDE4DPDE4B
SCHEMBL12234554 0.87 GPR119 (0.42) GPR119NPBWR1MCHR1PDE4DPDE4B
SCHEMBL2542952 0.86 GPR119 (0.48) GPR119NPBWR1MCHR1PDE4DPDE4B
SCHEMBL2542448 0.83 NPBWR1 (0.51) GPR119NPBWR1MCHR1PDE4DPDE4B
SCHEMBL1550713 0.81 GPR119 (0.60) GPR119NPBWR1MCHR1
SCHEMBL11946862 0.77 GPR119 (0.65) GPR119NPBWR1MCHR1PDE4D
SCHEMBL2539976 0.76 GPR119 (0.46) GPR119NPBWR1MCHR1PDE4DPDE4B
SCHEMBL12234561 0.76 GPR119 (0.47) GPR119PDE4B
SCHEMBL14237487 0.76 GPR119 (0.45) GPR119NPBWR1MCHR1PDE4DPDE4B
SCHEMBL2544987 0.75 GPR119 (0.50) GPR119NPBWR1MCHR1PDE4D

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
US-20130131074-A1 PYRIDONE AND PYRIDAZONE ANALOGUES AS GPR119 MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2013-05-23 — — US disclosed
US-8372837-B2 Pyridone and pyridazone analogues as GPR119 modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2013-02-12 — — US disclosed
US-20110263548-A1 PYRIDONE AND PYRIDAZONE ANALOGUES AS GPR119 MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-10-27 — — 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 (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-20130131074-A1 PYRIDONE AND PYRIDAZONE ANALOGUES AS GPR119 MODULATORS GPR119, GPR4, GPR3 GPR119 1/4885NPBWR1 200/4885MCHR1 290/4885
US-20110263548-A1 PYRIDONE AND PYRIDAZONE ANALOGUES AS GPR119 MODULATORS GPR119, GPR4, GPR3 GPR119 1/4885NPBWR1 209/4885MCHR1 306/4885

“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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