SCHEMBL5519973

SCHEMBL5519973

CCCCn1c(CCC)c(CC)cc(C(=O)N[C@@H](Cc2ccccc2)C(=O)OC)c1=O

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 9/20 0.50
CNR1 P21554 8/20 0.50
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
PKM P14618 1/20 0.48
TACR3 P29371 1/20 0.46
POLB P06746 1/20 0.45
GAA P10253 1/20 0.45
RAB9A P51151 1/20 0.45
BIRC2 Q13490 1/20 0.43

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
SCHEMBL2745553 1.00 CNR2 (0.50) CNR2CNR1KDM4EALDH1A1PKM
SCHEMBL5520869 0.92 CNR2 (0.52) CNR2CNR1
SCHEMBL5515738 0.85 CNR2 (0.57) CNR2CNR1KDM4EALDH1A1PKM
SCHEMBL2745357 0.85 CNR2 (0.57) CNR2CNR1KDM4EALDH1A1PKM
SCHEMBL5515333 0.85 CNR2 (0.47) CNR2CNR1KDM4EALDH1A1TACR3
SCHEMBL2754917 0.85 CNR2 (0.48) CNR2CNR1
SCHEMBL5517623 0.85 CNR2 (0.48) CNR2CNR1
SCHEMBL5519560 0.84 CNR2 (0.65) CNR2CNR1KDM4EALDH1A1PKM
SCHEMBL14865438 0.84 CNR2 (0.47) CNR2CNR1
SCHEMBL2746441 0.81 CNR2 (0.46) CNR2CNR1KDM4EALDH1A1TACR3

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 CNR2 1/4885CNR1 2/4885KDM4E 1326/4885
US-20080103139-A1 3-Carbamoyl-2-Pyridone Derivative CNR1, CNR2, HRH4 CNR2 2/4885CNR1 1/4885KDM4E 1522/4885

“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.