SCHEMBL2746554

SCHEMBL2746554

C[C](C(N)=O)C(=O)N1CCCC(C(N)=O)C1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.54
MAPK1 P28482 1/20 0.54
LMNA P02545 2/20 0.52
HSD17B10 Q99714 2/20 0.48
GLA P06280 1/20 0.48
RAB9A P51151 2/20 0.44
BCHE P06276 1/20 0.43
KDM4E B2RXH2 2/20 0.41
GAA P10253 1/20 0.38
KMT2A Q03164 2/20 0.38
NPC1 O15118 1/20 0.38

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
SCHEMBL3398264 0.82 ALDH1A1 (0.59) ALDH1A1MAPK1LMNAHSD17B10GLA
SCHEMBL3398266 0.82 ALDH1A1 (0.59) ALDH1A1MAPK1LMNAHSD17B10GLA
SCHEMBL14067196 0.82 ALDH1A1 (0.59) ALDH1A1MAPK1LMNAHSD17B10GLA
SCHEMBL14009860 0.79 ALDH1A1 (0.45) ALDH1A1MAPK1LMNAHSD17B10GLA
SCHEMBL2747482 0.79 LMNA (0.46) ALDH1A1MAPK1LMNARAB9AKDM4E
SCHEMBL2745870 0.79 GAA (0.51) ALDH1A1KDM4EGAA
SCHEMBL7362051 0.78 ALDH1A1 (0.58) ALDH1A1MAPK1LMNAHSD17B10GLA
SCHEMBL1595209 0.78 ALDH1A1 (0.58) ALDH1A1MAPK1LMNAHSD17B10GLA
SCHEMBL11922853 0.78 ALDH1A1 (0.55) ALDH1A1MAPK1LMNAHSD17B10GLA
SCHEMBL2745501 0.77 LMNA (0.50) ALDH1A1MAPK1LMNABCHEGAA

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 ALDH1A1 3505/4885MAPK1 1208/4885LMNA 4280/4885
US-20080103139-A1 3-Carbamoyl-2-Pyridone Derivative CNR1, CNR2, HRH4 ALDH1A1 4132/4885MAPK1 1122/4885LMNA 3604/4885

“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.