SCHEMBL2540793

SCHEMBL2540793

CC(C)(C)OC(=O)N1CCC(Oc2cc(=O)n(-c3ccc([N+](=O)[O-])cc3)nc2C(N)=O)CC1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.50
▸ LMNA P02545 1/20 0.50
▸ MAPT P10636 1/20 0.50
▸ GPR119 Q8TDV5 10/20 0.45
▸ NPBWR1 P48145 1/20 0.44
▸ MCHR1 Q99705 1/20 0.44
▸ KDM1A O60341 1/20 0.42
▸ PDE4B Q07343 3/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ PDE4D Q08499 3/20 0.40
▸ PDE4A P27815 2/20 0.40
▸ PDE4C Q08493 2/20 0.40
▸ CHEK2 O96017 1/20 0.40

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
SCHEMBL1551033 0.92 ALDH1A1 (0.50) ALDH1A1LMNAMAPTGPR119NPBWR1
SCHEMBL1549998 0.88 ALDH1A1 (0.41) ALDH1A1LMNAMAPTSMN1; SMN2CHEK2
SCHEMBL2545267 0.87 GPR119 (0.60) GPR119
SCHEMBL12234574 0.86 ALDH1A1 (0.49) ALDH1A1LMNAMAPTGPR119NPBWR1
SCHEMBL2546305 0.84 NPBWR1 (0.49) GPR119NPBWR1MCHR1KDM1APDE4B
SCHEMBL2540906 0.82 GPR119 (0.45) GPR119NPBWR1MCHR1KDM1APDE4B
SCHEMBL1551215 0.81 GPR119 (0.51) GPR119NPBWR1MCHR1KDM1APDE4B
SCHEMBL2546271 0.81 GPR119 (0.51) GPR119NPBWR1MCHR1KDM1APDE4B
SCHEMBL2542239 0.80 GPR119 (0.48) GPR119NPBWR1MCHR1KDM1A
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 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 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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