SCHEMBL2746366

SCHEMBL2746366

COc1ccc(Cn2c(C)c(C)cc(C(=O)Nc3ccc(OC(C)=O)cc3)c2=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.48
MAPT P10636 5/20 0.48
TP53 P04637 1/20 0.48
LMNA P02545 5/20 0.47
NPC1 O15118 5/20 0.46
RAB9A P51151 5/20 0.46
ALDH1A1 P00352 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
FAAH O00519 1/20 0.46
CNR1 P21554 1/20 0.46
CNR2 P34972 1/20 0.46
ABHD6 Q9BV23 1/20 0.46
CCR5 P51681 1/20 0.44
POLB P06746 1/20 0.44
KLKB1 P03952 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 1/20 0.43
CYP2C9 P11712 1/20 0.43
HPGD P15428 1/20 0.43
MEN1 O00255 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
SCHEMBL2746135 0.93 KMT2A (0.45) MAPTTP53LMNANPC1RAB9A
SCHEMBL2746733 0.89 TP53 (0.48) MAPTTP53LMNARAB9APOLB
SCHEMBL2746804 0.87 MAPT (0.53) MAPTTP53LMNANPC1RAB9A
SCHEMBL2746198 0.85 MAPT (0.48) AHRMAPTTP53NPC1RAB9A
SCHEMBL2746360 0.84 MAPT (0.46) AHRMAPTNPC1RAB9AALDH1A1
SCHEMBL2746376 0.82 CNR2 (0.55) AHRLMNANPC1RAB9AALDH1A1
SCHEMBL2747805 0.77 CNR2 (0.52) MAPTTP53LMNACNR1CNR2
SCHEMBL2746179 0.75 CNR2 (0.47) MAPTL3MBTL1FAAHCNR1CNR2
SCHEMBL2746133 0.75 MAPT (0.46) AHRMAPTTP53LMNANPC1
SCHEMBL2746610 0.75 CNR2 (0.52) MAPTTP53LMNACNR1CNR2

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
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-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
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 AHR 591/4885MAPT 2374/4885TP53 3391/4885
US-20080103139-A1 3-Carbamoyl-2-Pyridone Derivative CNR1, CNR2, HRH4 AHR 398/4885MAPT 4270/4885TP53 4133/4885

“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.