SCHEMBL1551033

SCHEMBL1551033

COC(=O)c1nn(-c2ccc([N+](=O)[O-])cc2)c(=O)cc1OC1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.50
▸ LMNA P02545 1/20 0.50
▸ MAPT P10636 1/20 0.50
▸ NPBWR1 P48145 1/20 0.46
▸ MCHR1 Q99705 1/20 0.46
▸ GPR119 Q8TDV5 9/20 0.45
▸ CYP1A2 P05177 2/20 0.44
▸ CYP2C19 P33261 2/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ PDE4B Q07343 3/20 0.42
▸ PDE4A P27815 2/20 0.42
▸ PDE4C Q08493 2/20 0.42
▸ PDE4D Q08499 2/20 0.42
▸ KMT2A Q03164 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CACNB4 O00305 1/20 0.41
▸ CACNA1A O00555 1/20 0.41
▸ CACNA1G O43497 1/20 0.41
▸ CACNG3 O60359 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
SCHEMBL2540793 0.92 ALDH1A1 (0.50) ALDH1A1LMNAMAPTNPBWR1MCHR1
SCHEMBL1550384 0.87 GPR119 (0.60) NPBWR1MCHR1GPR119
SCHEMBL12234574 0.86 ALDH1A1 (0.49) ALDH1A1LMNAMAPTNPBWR1MCHR1
SCHEMBL2543445 0.85 NPBWR1 (0.51) MAPTNPBWR1MCHR1GPR119CYP1A2
SCHEMBL2539976 0.83 GPR119 (0.46) NPBWR1MCHR1GPR119CYP1A2CYP2C19
SCHEMBL2542770 0.82 GPR119 (0.50) NPBWR1MCHR1GPR119CYP1A2CYP2C19
SCHEMBL12234550 0.82 NPBWR1 (0.44) NPBWR1MCHR1GPR119CYP1A2CYP2C19
SCHEMBL12234549 0.81 GPR119 (0.44) NPBWR1MCHR1GPR119CYP1A2CYP2C19
SCHEMBL1550792 0.81 GPR119 (0.47) NPBWR1MCHR1GPR119
SCHEMBL14237663 0.79 GPR119 (0.61) GPR119

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-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
EP-2313395-B1 PYRIDONE AND PYRIDAZONE ANALOGUES AS GPR119 MODULATORS BRISTOL MYERS SQUIBB CO (US) 2012-12-19 — — EP disclosed
US-20110263548-A1 PYRIDONE AND PYRIDAZONE ANALOGUES AS GPR119 MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-10-27 — — US disclosed
EP-2313395-A1 PYRIDONE AND PYRIDAZONE ANALOGUES AS GPR119 MODULATORS Bristol-Myers Squibb Company (US) 2011-04-27 — — EP disclosed
WO-2010009183-A1 PYRIDONE AND PYRIDAZONE ANALOGUES AS GPR119 MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-01-21 — — 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-20130131074-A1 PYRIDONE AND PYRIDAZONE ANALOGUES AS GPR119 MODULATORS GPR119, GPR4, GPR3 ALDH1A1 1093/4885LMNA 3484/4885MAPT 3761/4885
US-20110263548-A1 PYRIDONE AND PYRIDAZONE ANALOGUES AS GPR119 MODULATORS GPR119, GPR4, GPR3 ALDH1A1 1153/4885LMNA 3364/4885MAPT 3848/4885

“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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