SCHEMBL2746604

SCHEMBL2746604

C[C](C(N)=O)C(=O)N1CCC(C(=O)N2CCCCC2)CC1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.56
ALDH1A1 P00352 6/20 0.49
SMN1; SMN2 Q16637 3/20 0.47
TSHR P16473 3/20 0.47
LMNA P02545 1/20 0.45
HTT P42858 1/20 0.42
HSD11B1 P28845 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NPC1 O15118 1/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL2746390 0.84 RECQL (0.57) HPGDALDH1A1SMN1; SMN2TSHRLMNA
SCHEMBL2745870 0.81 GAA (0.51) ALDH1A1SMN1; SMN2TSHRKDM4E
SCHEMBL29944041 0.79 HPGD (0.69) HPGDALDH1A1SMN1; SMN2TSHRLMNA
SCHEMBL18415366 0.77 HPGD (0.65) HPGDALDH1A1SMN1; SMN2TSHRLMNA
SCHEMBL2745755 0.75 HTT (0.36) HTTNPC1
SCHEMBL2746554 0.75 ALDH1A1 (0.54) ALDH1A1LMNAKMT2ANPC1KDM4E
SCHEMBL2746606 0.75 HPGD (0.60) HPGDALDH1A1SMN1; SMN2TSHRLMNA
SCHEMBL2746500 0.75 GAA (0.39) SMN1; SMN2TSHRLMNAMEN1KMT2A
SCHEMBL10266005 0.75 HPGD (0.64) HPGDALDH1A1SMN1; SMN2TSHRLMNA
SCHEMBL19612780 0.74 HPGD (1.00) HPGDALDH1A1SMN1; SMN2TSHRLMNA

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 HPGD 1235/4885ALDH1A1 3505/4885SMN1; SMN2 4550/4885
US-20080103139-A1 3-Carbamoyl-2-Pyridone Derivative CNR1, CNR2, HRH4 HPGD 1169/4885ALDH1A1 4132/4885SMN1; SMN2 4482/4885

“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.