SCHEMBL2746594

SCHEMBL2746594

C[C](C(N)=O)C(=O)NCCc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.57
MTNR1B P49286 2/20 0.57
ALDH1A1 P00352 6/20 0.56
PLAAT3 P53816 1/20 0.53
PLAAT5 Q96KN8 1/20 0.53
PLAAT2 Q9NWW9 1/20 0.53
PLAAT4 Q9UL19 1/20 0.53
HPGD P15428 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
ABCB1 P08183 1/20 0.52
ABCG2 Q9UNQ0 1/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
SLC2A1 P11166 1/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
LMNA P02545 2/20 0.51
POLB P06746 1/20 0.51
HTT P42858 1/20 0.51
BCHE P06276 2/20 0.50
FFAR4 Q5NUL3 1/20 0.47

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
SCHEMBL7364544 0.90 ALDH1A1 (0.57) MTNR1AMTNR1BALDH1A1PLAAT3PLAAT5
SCHEMBL10163435 0.88 MTNR1A (0.62) MTNR1AMTNR1BALDH1A1PLAAT3PLAAT5
SCHEMBL7365371 0.84 MTNR1A (0.61) MTNR1AMTNR1BALDH1A1PLAAT3PLAAT5
SCHEMBL2746596 0.82 MTNR1A (0.56) MTNR1AMTNR1BALDH1A1ABCB1ABCG2
SCHEMBL13139208 0.82 MTNR1A (0.78) MTNR1AMTNR1BALDH1A1PLAAT3PLAAT5
SCHEMBL2745782 0.81 ALDH1A1 (0.64) ALDH1A1PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL25773443 0.81 MTNR1A (0.69) MTNR1AMTNR1BALDH1A1PLAAT3PLAAT5
SCHEMBL12707505 0.81 SLC2A1 (0.58) MTNR1AMTNR1BALDH1A1HPGDL3MBTL1
SCHEMBL17821665 0.81 MTNR1A (0.65) MTNR1AMTNR1BALDH1A1PLAAT3PLAAT5
SCHEMBL25300742 0.80 MTNR1A (0.56) MTNR1AMTNR1BALDH1A1ABCB1ABCG2

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 5 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-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 MTNR1A 435/4885MTNR1B 709/4885ALDH1A1 3505/4885
US-20080103139-A1 3-Carbamoyl-2-Pyridone Derivative CNR1, CNR2, HRH4 MTNR1A 334/4885MTNR1B 641/4885ALDH1A1 4132/4885

“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.