SCHEMBL5537643

SCHEMBL5537643

CC(C)(C)C(=O)Nc1ccc(C(N)=O)cn1

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NNMT P40261 3/20 0.63
EPHX2 P34913 1/20 0.55
SMN1; SMN2 Q16637 2/20 0.47
DEGS1 O15121 1/20 0.46
KDR P35968 1/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
PAX8 Q06710 1/20 0.45
KLF5 Q13887 1/20 0.45
GRIN2B Q13224 1/20 0.45
ALDH1A1 P00352 1/20 0.44
TP53 P04637 1/20 0.44

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
SCHEMBL2746892 0.89 NNMT (0.61) NNMTEPHX2SMN1; SMN2DEGS1
SCHEMBL855055 0.88 NNMT (0.47) NNMTEPHX2SMN1; SMN2DEGS1KDR
SCHEMBL7090884 0.85 DEGS1 (0.47) NNMTSMN1; SMN2DEGS1KDRNPC1
SCHEMBL3465475 0.81 NNMT (0.69) NNMTEPHX2SMN1; SMN2
SCHEMBL5734042 0.80 NNMT (0.58) NNMTEPHX2SMN1; SMN2GRIN2B
SCHEMBL1163357 0.80 PTGS1 (0.54) SMN1; SMN2DEGS1KDRNPC1RAB9A
SCHEMBL14185002 0.80 NNMT (0.67) NNMTEPHX2SMN1; SMN2
SCHEMBL2746891 0.79 NNMT (0.61) NNMTEPHX2SMN1; SMN2RAB9A
SCHEMBL6058855 0.79 GRIN2B (0.49) NNMTEPHX2SMN1; SMN2DEGS1KDR
SCHEMBL28157252 0.79 NNMT (0.70) NNMTEPHX2SMN1; SMN2

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-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

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-20120208813-A1 3-CARBAMOYL-2-PYRIDONE DERIVATIVES CNR2, CNR1, HRH4 NNMT 2607/4885EPHX2 1166/4885SMN1; SMN2 4550/4885

“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.