SCHEMBL5524739

SCHEMBL5524739

COc1ccc(Cn2c(C)c(C)cc(C(=O)N[C@H](C(=O)O)c3ccccc3)c2=O)cc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.52
TACR3 P29371 2/20 0.46
CNR1 P21554 4/20 0.46
CNR2 P34972 4/20 0.46
KEAP1 Q14145 2/20 0.45
NFE2L2 Q16236 2/20 0.45
FAAH O00519 1/20 0.45
ABHD6 Q9BV23 1/20 0.45
KLK1 P06870 1/20 0.44
PLA2G10 O15496 1/20 0.44
PPARG P37231 3/20 0.42
KLKB1 P03952 1/20 0.42
BRD4 O60885 1/20 0.42
PLA2G2A P14555 1/20 0.42

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
SCHEMBL5521715 0.93 TACR3 (0.50) ATMTACR3CNR1CNR2FAAH
SCHEMBL27680169 0.93 TACR3 (0.50) ATMTACR3CNR1CNR2FAAH
SCHEMBL5516376 0.90 KMT2A (0.47) CNR1CNR2KEAP1NFE2L2FAAH
SCHEMBL2746633 0.89 CNR2 (0.50) CNR1CNR2FAAHABHD6PPARG
SCHEMBL5522248 0.89 CNR2 (0.50) CNR1CNR2FAAHABHD6PPARG
SCHEMBL5522301 0.86 CNR1 (0.47) CNR1CNR2FAAHPPARGBRD4
SCHEMBL27890410 0.85 TACR3 (0.50) TACR3CNR1CNR2PPARG
SCHEMBL5516389 0.85 MEN1 (0.48) CNR1CNR2KEAP1NFE2L2PPARG
SCHEMBL5520022 0.85 TACR3 (0.50) TACR3CNR1CNR2PPARG
SCHEMBL5515638 0.84 CNR2 (0.48) TACR3CNR1CNR2FAAHABHD6

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
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 ATM 4613/4885TACR3 152/4885CNR1 2/4885
US-20080103139-A1 3-Carbamoyl-2-Pyridone Derivative CNR1, CNR2, HRH4 ATM 4657/4885TACR3 241/4885CNR1 1/4885

“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.