SCHEMBL5520544

SCHEMBL5520544

Cc1cc(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)O)c(=O)n(CC2CCCCC2)c1C

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.55
CNR2 P34972 1/20 0.55
ITGB2 P05107 12/20 0.54
ICAM1 P05362 12/20 0.54
ITGAL P20701 12/20 0.54
POLB P06746 2/20 0.53
MAPT P10636 2/20 0.53
HPGD P15428 2/20 0.53
ALDH1A1 P00352 1/20 0.53
USP2 O75604 1/20 0.51
MAPK1 P28482 1/20 0.51
TP53 P04637 1/20 0.51
KDM4E B2RXH2 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
ERAP2 Q6P179 1/20 0.49

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
SCHEMBL5524504 0.84 CNR1 (0.71) CNR1CNR2POLBHPGDALDH1A1
SCHEMBL5524508 0.83 ITGB2 (0.58) CNR1CNR2ITGB2ICAM1ITGAL
SCHEMBL27680168 0.80 CNR1 (0.59) CNR1CNR2
SCHEMBL5521227 0.79 CNR2 (0.52) CNR1CNR2
SCHEMBL27660176 0.78 CNR1 (0.50) CNR1CNR2MAPTKDM4E
SCHEMBL5516011 0.78 CNR1 (0.52) CNR1CNR2POLBALDH1A1KDM4E
SCHEMBL2747934 0.77 CNR2 (0.60) CNR1CNR2ALDH1A1KDM4E
SCHEMBL27660183 0.77 CNR2 (0.51) CNR1CNR2
SCHEMBL5516022 0.76 CNR1 (0.49) CNR1CNR2USP2
SCHEMBL5515963 0.76 CNR2 (0.56) CNR1CNR2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1806342-B1 3-CARBAMOYL-2-PYRIDONE DERIVATIVE SHIONOGI & CO (JP) 2013-04-17 EP disclosed
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
EP-1806342-A1 3-CARBAMOYL-2-PYRIDONE DERIVATIVE SHIONOGI & CO., LTD. (JP) 2007-07-11 EP 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 CNR1 2/4885CNR2 1/4885ITGB2 3550/4885
US-20080103139-A1 3-Carbamoyl-2-Pyridone Derivative CNR1, CNR2, HRH4 CNR1 1/4885CNR2 2/4885ITGB2 3470/4885

“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.