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SCHEMBL5522248

SCHEMBL5522248

Cc1cc(C(=O)N[C@@H](C(=O)O)c2ccccc2)c(=O)n(Cc2ccc(F)cc2)c1C

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 15/20 0.50
▸ CNR1 P21554 14/20 0.50
▸ FAAH O00519 5/20 0.50
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ TP53 P04637 1/20 0.46
▸ ABHD12 Q8N2K0 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ ABHD6 Q9BV23 1/20 0.43
▸ PPARG P37231 1/20 0.43
▸ BRD4 O60885 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
SCHEMBL2746633 1.00 CNR2 (0.50) CNR2CNR1FAAHMEN1KMT2A
SCHEMBL27680142 0.91 CNR2 (0.48) CNR2CNR1FAAHTP53ABHD12
SCHEMBL5515638 0.91 CNR2 (0.48) CNR2CNR1FAAHTP53ABHD12
SCHEMBL5516376 0.91 KMT2A (0.47) CNR2CNR1FAAHMEN1KMT2A
SCHEMBL2746202 0.90 CNR2 (0.60) CNR2CNR1FAAHMEN1KMT2A
SCHEMBL5516384 0.90 CNR2 (0.60) CNR2CNR1FAAHMEN1KMT2A
SCHEMBL5522301 0.89 CNR1 (0.47) CNR2CNR1FAAHPPARGBRD4
SCHEMBL5524739 0.89 ATM (0.52) CNR2CNR1FAAHABHD6PPARG
SCHEMBL5516389 0.86 MEN1 (0.48) CNR2CNR1MEN1KMT2ATP53
SCHEMBL5520940 0.84 CNR2 (0.44) CNR2CNR1MEN1KMT2ATP53

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 CNR2 1/4885CNR1 2/4885FAAH 113/4885
US-20080103139-A1 3-Carbamoyl-2-Pyridone Derivative CNR1, CNR2, HRH4 CNR2 2/4885CNR1 1/4885FAAH 146/4885

“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.