SCHEMBL2746596

SCHEMBL2746596

CC(C)(N)C(=O)NCCc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.56
MTNR1B P49286 2/20 0.56
SLC2A1 P11166 1/20 0.52
ALDH1A1 P00352 3/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
ABCB1 P08183 1/20 0.50
ABCG2 Q9UNQ0 1/20 0.50
SMN1; SMN2 Q16637 5/20 0.49
LMNA P02545 1/20 0.49
POLB P06746 1/20 0.49
HTT P42858 1/20 0.49
BCHE P06276 2/20 0.48
FFAR4 Q5NUL3 1/20 0.48
APP P05067 1/20 0.47
GAA P10253 1/20 0.47
NPC1 O15118 1/20 0.47
PKM P14618 1/20 0.47
RAB9A P51151 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
SCHEMBL5540930 0.86 MTNR1A (0.54) MTNR1AMTNR1BSLC2A1ALDH1A1MEN1
SCHEMBL7281747 0.85 MTNR1A (0.55) MTNR1AMTNR1BSLC2A1ALDH1A1MEN1
SCHEMBL25300742 0.83 MTNR1A (0.56) MTNR1AMTNR1BSLC2A1ALDH1A1MEN1
SCHEMBL30517507 0.83 MTNR1A (0.56) MTNR1AMTNR1BSLC2A1ALDH1A1MEN1
SCHEMBL2746594 0.82 MTNR1A (0.57) MTNR1AMTNR1BSLC2A1ALDH1A1MEN1
SCHEMBL7364544 0.81 ALDH1A1 (0.57) MTNR1AMTNR1BSLC2A1ALDH1A1MEN1
SCHEMBL12707505 0.81 SLC2A1 (0.58) MTNR1AMTNR1BSLC2A1ALDH1A1MEN1
SCHEMBL10163435 0.81 MTNR1A (0.62) MTNR1AMTNR1BSLC2A1ALDH1A1MEN1
SCHEMBL441779 0.81 MTNR1A (0.59) MTNR1AMTNR1BALDH1A1MEN1KMT2A
SCHEMBL441815 0.81 MTNR1A (0.65) MTNR1AMTNR1BALDH1A1MEN1KMT2A

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 709/4885SLC2A1 4840/4885
US-20080103139-A1 3-Carbamoyl-2-Pyridone Derivative CNR1, CNR2, HRH4 MTNR1A 334/4885MTNR1B 641/4885SLC2A1 4787/4885

“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.