SCHEMBL5509591

SCHEMBL5509591

CCCc1c(CC)cc(C(=O)NC(C)C)c(=O)n1CCOC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 9/20 0.49
CNR1 P21554 3/20 0.49
ALDH1A1 P00352 4/20 0.43
GAA P10253 3/20 0.43
KDM4E B2RXH2 2/20 0.43
GLA P06280 2/20 0.43
HPGD P15428 2/20 0.43
HSD17B10 Q99714 2/20 0.43
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
ATM Q13315 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
PIK3CA P42336 1/20 0.35
PDE10A Q9Y233 1/20 0.34
MAPT P10636 1/20 0.34
PKM P14618 1/20 0.34

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
SCHEMBL5515502 0.89 CNR2 (0.61) CNR2CNR1
SCHEMBL11920673 0.88 CNR2 (0.49) CNR2CNR1ALDH1A1GAAKDM4E
SCHEMBL5520750 0.88 CNR2 (0.42) CNR2CNR1ALDH1A1GAAKDM4E
SCHEMBL11922699 0.88 CNR2 (0.43) CNR2CNR1ALDH1A1GAAKDM4E
SCHEMBL5516411 0.85 ALDH1A1 (0.42) CNR2CNR1ALDH1A1GAAKDM4E
SCHEMBL5509900 0.81 CNR2 (0.51) CNR2CNR1
SCHEMBL2745229 0.80 CNR2 (0.49) CNR2CNR1HSD17B10MAPT
SCHEMBL5523383 0.80 CNR2 (0.49) CNR2CNR1HSD17B10MAPT
SCHEMBL5517384 0.79 CNR2 (0.51) CNR2CNR1KDM4ESMN1; SMN2
SCHEMBL5509587 0.79 CNR2 (0.68) 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
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-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 2/4885ALDH1A1 3505/4885
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.