SCHEMBL2746895

SCHEMBL2746895

C[C](C(N)=O)C(=O)NCCN1CCOCC1

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.63
TSHR P16473 4/20 0.60
MAPT P10636 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
LMNA P02545 2/20 0.54
KDM4E B2RXH2 2/20 0.54
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
POLB P06746 2/20 0.47
RAB9A P51151 1/20 0.47
ALDH1A1 P00352 1/20 0.46
TP53 P04637 1/20 0.46
ALOX15 P16050 1/20 0.46

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
SCHEMBL3632229 0.87 GAA (0.81) GAATSHRMAPTTDP1LMNA
SCHEMBL13589552 0.83 TDP1 (0.67) GAATSHRMAPTTDP1LMNA
SCHEMBL30522606 0.83 TDP1 (0.75) GAATSHRTDP1LMNAKDM4E
SCHEMBL793341 0.81 TDP1 (0.63) GAATSHRMAPTTDP1LMNA
SCHEMBL33262 0.80 TDP1 (0.61) GAATSHRMAPTTDP1CA12
SCHEMBL1461242 0.80 GAA (0.60) GAATSHRMAPTTDP1LMNA
SCHEMBL13368566 0.79 TDP1 (0.69) GAATSHRMAPTTDP1LMNA
SCHEMBL13368454 0.79 TDP1 (0.69) GAATSHRMAPTTDP1LMNA
SCHEMBL6628448 0.78 TDP1 (0.64) GAATSHRTDP1LMNAKDM4E
SCHEMBL8145097 0.78 TDP1 (0.59) GAATSHRMAPTTDP1LMNA

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 GAA 4010/4885TSHR 1412/4885MAPT 2374/4885
US-20080103139-A1 3-Carbamoyl-2-Pyridone Derivative CNR1, CNR2, HRH4 GAA 4580/4885TSHR 1109/4885MAPT 4270/4885

“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.