SCHEMBL5519976

SCHEMBL5519976

COC(=O)[C@@H](NC(=O)c1cc(C)c(C)n(Cc2cccc(Cl)c2)c1=O)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 6/20 0.49
LMNA P02545 1/20 0.46
PPARG P37231 1/20 0.45
PTGER4 P35408 2/20 0.43
PTGDR Q13258 2/20 0.43
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
PTGES O14684 1/20 0.42
MAPT P10636 2/20 0.42
TP53 P04637 1/20 0.42
BRD4 O60885 1/20 0.41
POLB P06746 1/20 0.41
TACR2 P21452 1/20 0.41

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
SCHEMBL27660187 1.00 TACR3 (0.49) TACR3LMNAPPARGPTGER4PTGDR
SCHEMBL27890410 0.92 TACR3 (0.50) TACR3LMNAPPARGCNR1CNR2
SCHEMBL5520022 0.92 TACR3 (0.50) TACR3LMNAPPARGCNR1CNR2
SCHEMBL5516389 0.92 MEN1 (0.48) PPARGPTGER4PTGDRCNR1CNR2
SCHEMBL27680169 0.88 TACR3 (0.50) TACR3LMNACNR1CNR2MEN1
SCHEMBL5521715 0.88 TACR3 (0.50) TACR3LMNACNR1CNR2MEN1
SCHEMBL27680142 0.87 CNR2 (0.48) TACR3LMNAPPARGCNR1CNR2
SCHEMBL5515638 0.87 CNR2 (0.48) TACR3LMNAPPARGCNR1CNR2
SCHEMBL27660200 0.85 TACR3 (0.47) TACR3LMNAPPARGMEN1KMT2A
SCHEMBL5521700 0.85 TACR3 (0.47) TACR3LMNAPPARGMEN1KMT2A

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 TACR3 152/4885LMNA 4280/4885PPARG 147/4885
US-20080103139-A1 3-Carbamoyl-2-Pyridone Derivative CNR1, CNR2, HRH4 TACR3 241/4885LMNA 3604/4885PPARG 379/4885

“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.