SCHEMBL5538685

SCHEMBL5538685

CCN(CC)C[C@H](C)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GABRR1 P24046 2/20 0.41
CYP1A2 P05177 1/20 0.41
BLM P54132 1/20 0.40
ACE2 Q9BYF1 1/20 0.38
RNPEP Q9H4A4 1/20 0.36
SCN1A P35498 1/20 0.36
SCN2A Q99250 1/20 0.36
SCN3A Q9NY46 1/20 0.36
MAPT P10636 1/20 0.36
FOLH1 Q04609 2/20 0.35
NAALAD2 Q9Y3Q0 2/20 0.35
ENPEP Q07075 2/20 0.35
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
TP53 P04637 1/20 0.35

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
SCHEMBL103178 1.00 GABRR1 (0.41) GABRR1CYP1A2BLMACE2RNPEP
SCHEMBL5907858 0.87 GABRR1 (0.46) GABRR1CYP1A2BLMACE2FOLH1
SCHEMBL28546524 0.80 CHRM2 (0.38) SCN1ASCN2ASCN3AMAPTMEN1
SCHEMBL10796077 0.78 GABRR1 (0.39) GABRR1CYP1A2BLMACE2FOLH1
SCHEMBL29955845 0.78 GABRR1 (0.39) GABRR1CYP1A2BLMACE2FOLH1
SCHEMBL30925080 0.78 GABRR1 (0.39) GABRR1CYP1A2BLMACE2FOLH1
SCHEMBL9033183 0.78 KMT2A (0.34) SCN1ASCN2ASCN3AMAPTMEN1
SCHEMBL6712047 0.78 GABRR1 (0.39) GABRR1CYP1A2BLMACE2FOLH1
SCHEMBL8859116 0.76 GABRR1 (0.43) GABRR1CYP1A2BLMACE2SCN1A
SCHEMBL5520956 0.76 SLC1A3 (0.43) RNPEPSCN1ASCN2ASCN3AMAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20080103139-A1 3-Carbamoyl-2-Pyridone Derivative CNR1, CNR2, HRH4 GABRR1 1582/4885CYP1A2 1310/4885BLM 4774/4885

“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.