SCHEMBL2745604

SCHEMBL2745604

CCCCn1c2c(cc(C(=O)Nc3ccc(OC(C)=O)cc3)c1=O)CCCCCC2

nearest known ligand 0.66

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 17/20 0.66
CNR1 P21554 12/20 0.66
MAPT P10636 2/20 0.47
TP53 P04637 1/20 0.47
HPGD P15428 2/20 0.46
HSD17B10 Q99714 2/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.45

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
SCHEMBL2745557 1.00 CNR2 (0.66) CNR2CNR1MAPTTP53HPGD
SCHEMBL2745682 0.99 CNR2 (0.64) CNR2CNR1MAPTTP53HPGD
SCHEMBL2736962 0.90 CNR2 (0.68) CNR2CNR1MAPTTP53HPGD
SCHEMBL2746757 0.90 CNR2 (0.52) CNR2CNR1
SCHEMBL2746508 0.90 CNR2 (0.60) CNR2CNR1MAPTHPGDHSD17B10
SCHEMBL2736969 0.90 CNR2 (0.67) CNR2CNR1MAPTTP53HPGD
SCHEMBL2746514 0.89 CNR2 (0.52) CNR2CNR1
SCHEMBL2746352 0.89 CNR2 (0.54) CNR2CNR1
SCHEMBL2746219 0.88 CNR2 (0.53) CNR2CNR1
SCHEMBL2745561 0.88 CNR2 (0.60) 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 4 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-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 1/4885MAPT 4270/4885

“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.