SCHEMBL2747862

SCHEMBL2747862

CCc1c(C)cc(C(=O)NC(C(=O)OC)C(C)C)c(=O)n1Cc1ccc(F)cc1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 14/20 0.57
CNR1 P21554 12/20 0.57
MEN1 O00255 1/20 0.47
GAA P10253 1/20 0.47
KMT2A Q03164 1/20 0.47
TAS1R3 Q7RTX0 1/20 0.42
TAS1R1 Q7RTX1 1/20 0.42
FAAH O00519 4/20 0.41
CA12 O43570 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
P2RX3 P56373 3/20 0.40
ABHD6 Q9BV23 1/20 0.40
ABHD12 Q8N2K0 1/20 0.40

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
SCHEMBL5517486 1.00 CNR2 (0.57) CNR2CNR1MEN1GAAKMT2A
SCHEMBL5516311 0.90 CNR2 (0.61) CNR2CNR1FAAHABHD12
SCHEMBL2745418 0.89 MEN1 (0.49) CNR2CNR1MEN1GAAKMT2A
SCHEMBL5509529 0.89 CNR2 (0.66) CNR2CNR1FAAHABHD6ABHD12
SCHEMBL5523745 0.87 CNR2 (0.59) CNR2CNR1MEN1GAAKMT2A
SCHEMBL2746339 0.87 CNR2 (0.59) CNR2CNR1MEN1GAAKMT2A
SCHEMBL5523764 0.84 CNR2 (0.56) CNR2CNR1MEN1KMT2AFAAH
SCHEMBL27660212 0.84 CNR2 (0.56) CNR2CNR1MEN1KMT2AFAAH
SCHEMBL14865368 0.83 CNR2 (0.63) CNR2CNR1FAAHABHD6ABHD12
SCHEMBL5514468 0.81 CNR2 (0.67) CNR2CNR1FAAHABHD6ABHD12

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 8 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
CN-1993327-B 3-carbamoyl-2-pyridone derivatives SHIONOGI & CO 2013-02-06 CN 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
CN-1993327-A 3-carbamoyl-2-pyridone derivatives SHIONOGI & CO (JP) 2007-07-04 CN 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 2/4885MEN1 4298/4885
US-20080103139-A1 3-Carbamoyl-2-Pyridone Derivative CNR1, CNR2, HRH4 CNR2 2/4885CNR1 1/4885MEN1 3984/4885

“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.