SCHEMBL5543820

SCHEMBL5543820

COC(=O)[C@@H](C)Cc1cc2ccccc2[nH]1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.52
TAS1R1 Q7RTX1 1/20 0.52
MTNR1A P48039 1/20 0.51
MTNR1B P49286 1/20 0.51
ADAMTS4 O75173 1/20 0.48
KDM4E B2RXH2 3/20 0.47
LMNA P02545 2/20 0.47
TP53 P04637 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
LOXL2 Q9Y4K0 1/20 0.45
CASR P41180 2/20 0.44
GAA P10253 3/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPK1 P28482 1/20 0.43
NLRP3 Q96P20 1/20 0.43
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
HPGD P15428 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
SCHEMBL12764096 1.00 TAS1R3 (0.52) TAS1R3TAS1R1MTNR1AMTNR1BADAMTS4
SCHEMBL12598322 0.86 MTNR1A (0.56) TAS1R3TAS1R1MTNR1AMTNR1BKDM4E
SCHEMBL5514982 0.86 TAS1R3 (0.50) TAS1R3TAS1R1MTNR1AMTNR1BADAMTS4
SCHEMBL15109307 0.84 MTNR1A (0.50) TAS1R3TAS1R1MTNR1AMTNR1BADAMTS4
SCHEMBL14173378 0.84 MTNR1A (0.50) TAS1R3TAS1R1MTNR1AMTNR1BADAMTS4
SCHEMBL27759810 0.84 MTNR1A (0.44) TAS1R3TAS1R1MTNR1AMTNR1BADAMTS4
SCHEMBL5159413 0.84 ADAMTS4 (0.54) MTNR1AMTNR1BADAMTS4KDM4ELMNA
SCHEMBL852594 0.83 FLT3 (0.44) MTNR1AMTNR1BGAA
SCHEMBL853304 0.80 KDM4E (0.58) KDM4EALDH1A1HPGD
SCHEMBL5249054 0.77 LOXL2 (0.55) MTNR1AMTNR1BADAMTS4LOXL2CASR

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 TAS1R3 609/4885TAS1R1 637/4885MTNR1A 435/4885
US-20080103139-A1 3-Carbamoyl-2-Pyridone Derivative CNR1, CNR2, HRH4 TAS1R3 422/4885TAS1R1 540/4885MTNR1A 334/4885

“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.