SCHEMBL5524729

SCHEMBL5524729

CCCc1c(CC)cc(C(=O)N[C@@H](Cc2ccccc2)C(=O)O)c(=O)n1CC1CCCCC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 9/20 0.67
CNR1 P21554 8/20 0.67
ALDH1A1 P00352 2/20 0.43
HSD17B10 Q99714 1/20 0.43
OPRM1 P35372 1/20 0.42
OPRD1 P41143 1/20 0.42
OPRK1 P41145 1/20 0.42
OGFRL1 Q5TC84 1/20 0.42
ITGB1 P05556 2/20 0.42
ITGA4 P13612 2/20 0.42
ITGB7 P26010 2/20 0.42
GLA P06280 2/20 0.42
GAA P10253 2/20 0.42
HPGD P15428 1/20 0.42
ABCC2 Q92887 1/20 0.42
MME P08473 1/20 0.41
ACE P12821 1/20 0.41
CPA1 P15085 1/20 0.41
ACE2 Q9BYF1 1/20 0.41
BCHE P06276 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
SCHEMBL2745357 0.92 CNR2 (0.57) CNR2CNR1ALDH1A1GAAPOLB
SCHEMBL5515738 0.92 CNR2 (0.57) CNR2CNR1ALDH1A1GAAPOLB
SCHEMBL5524810 0.86 CNR2 (0.49) CNR2CNR1OPRM1OPRD1OPRK1
SCHEMBL5524751 0.85 CNR2 (0.66) CNR2CNR1OPRM1OPRD1OPRK1
SCHEMBL5520869 0.84 CNR2 (0.52) CNR2CNR1KMT2A
SCHEMBL5509900 0.84 CNR2 (0.51) CNR2CNR1
SCHEMBL5524504 0.83 CNR1 (0.71) CNR2CNR1ALDH1A1HSD17B10OPRM1
SCHEMBL5517849 0.83 CNR1 (0.71) CNR2CNR1ALDH1A1HSD17B10OPRM1
SCHEMBL5520674 0.82 CNR2 (0.66) CNR2CNR1
SCHEMBL5516356 0.81 CNR2 (0.52) CNR2CNR1

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 7 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-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 (1 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-20080103139-A1 3-Carbamoyl-2-Pyridone Derivative CNR1, CNR2, HRH4 CNR2 2/4885CNR1 1/4885ALDH1A1 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.