SCHEMBL5523281

SCHEMBL5523281

Cc1cc(C(=O)N[C@H](C(=O)O)C(C)C)c(=O)n(Cc2ccncc2)c1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ALDH1A1 P00352 2/20 0.44
HPGD P15428 2/20 0.44
KDM4E B2RXH2 1/20 0.44
CASP1 P29466 1/20 0.44
CASP7 P55210 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CNR1 P21554 6/20 0.43
CNR2 P34972 6/20 0.43
BRD4 O60885 1/20 0.39
PPARG P37231 1/20 0.38
GPR132 Q9UNW8 2/20 0.38
NPC1 O15118 1/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
PYGL P06737 1/20 0.37
CYP2C9 P11712 1/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36

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
SCHEMBL2745683 0.90 ALDH1A1 (0.45) MEN1KMT2AALDH1A1HPGDKDM4E
SCHEMBL5519373 0.90 ALDH1A1 (0.45) MEN1KMT2AALDH1A1HPGDKDM4E
SCHEMBL14472361 0.89 CNR2 (0.47) MEN1KMT2AALDH1A1HPGDKDM4E
SCHEMBL5524494 0.87 CNR2 (0.49) CNR1CNR2
SCHEMBL5520598 0.79 CNR2 (0.46) ALDH1A1HPGDKDM4ECNR1CNR2
SCHEMBL5515971 0.78 CNR2 (0.59) CNR1CNR2PPARG
SCHEMBL5524174 0.78 CNR2 (0.59) CNR1CNR2PPARG
SCHEMBL2745418 0.77 MEN1 (0.49) MEN1KMT2ACNR1CNR2P2RX3
SCHEMBL5516311 0.76 CNR2 (0.61) CNR1CNR2
SCHEMBL5516035 0.76 CNR2 (0.54) CNR1CNR2PPARG

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-8367666-B2 3-carbamoyl-2-pyridone derivatives SHIONOGI & CO., LTD. (JP) 2013-02-05 US disclosed
US-8367666-B2 3-carbamoyl-2-pyridone derivatives SHIONOGI & CO., LTD. (JP) 2013-02-05 US disclosed
US-20120208813-A1 3-CARBAMOYL-2-PYRIDONE DERIVATIVES SHIONOGI & CO., LTD. 2012-08-16 US disclosed
US-8178681-B2 methyl 3-methyl-2-{[2-oxo-1-(2-oxo-ethyl)-1,2,5,6,7,8,9,10-octahydro-cycloocta[b]pyridine-3-carbonyl]-amino}-butyrate; cannabinoid receptor agonist; antiinflammatory agent, immunostimulant, analgesic; atopic dermatitis; excellent in photostability, and have excellent transdermal and oral absorbency SHIONOGI & CO., LTD. (JP) 2012-05-15 US disclosed
US-8178681-B2 methyl 3-methyl-2-{[2-oxo-1-(2-oxo-ethyl)-1,2,5,6,7,8,9,10-octahydro-cycloocta[b]pyridine-3-carbonyl]-amino}-butyrate; cannabinoid receptor agonist; antiinflammatory agent, immunostimulant, analgesic; atopic dermatitis; excellent in photostability, and have excellent transdermal and oral absorbency SHIONOGI & CO., LTD. (JP) 2012-05-15 US disclosed
US-20080103139-A1 3-Carbamoyl-2-Pyridone Derivative SHIONOGI & CO. LTD. (JP) 2008-05-01 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-20120208813-A1 3-CARBAMOYL-2-PYRIDONE DERIVATIVES CNR2, CNR1, HRH4 MEN1 4298/4885KMT2A 2255/4885ALDH1A1 3505/4885
US-20080103139-A1 3-Carbamoyl-2-Pyridone Derivative CNR1, CNR2, HRH4 MEN1 3984/4885KMT2A 2206/4885ALDH1A1 4132/4885

“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.