SCHEMBL5899795

SCHEMBL5899795

CCC1CCCCC1N1C(=O)CCC1C

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 3/20 0.36
CHRM4 P08173 3/20 0.36
CHRM5 P08912 3/20 0.36
CHRM1 P11229 3/20 0.36
CHRM3 P20309 3/20 0.36
CHRNB2 P17787 4/20 0.33
CHRNA7 P36544 4/20 0.33
CHRNA4 P43681 4/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
DPP4 P27487 1/20 0.32
JAK2 O60674 2/20 0.32
JAK1 P23458 2/20 0.32
JAK3 P52333 2/20 0.32
ALDH1A1 P00352 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA4 P22748 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL4685029 0.78 CHRM2 (0.37) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL4686993 0.74 DPP4 (0.40) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL4681145 0.74 HTT (0.41) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL2991774 0.72 HTT (0.43) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL4681766 0.72 HTT (0.43) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL4684804 0.70 CHRM2 (0.34) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL14339515 0.70 CHRNB2 (0.40) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL1535527 0.66 JAK2 (0.36) CHRNB2CHRNA7CHRNA4CHRNB4CHRNA3
SCHEMBL4670206 0.64 PKM (0.39) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL23064505 0.63 TDP1 (0.61) CHRNB2CHRNA7CHRNA4CHRNB4CHRNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110294701-B Synthetic method of 5-methyl-2-pyrrolidone or derivatives thereof 厦门大学 2021-07-09 CN disclosed
CN-110294701-A A kind of synthetic method of 5- N-methyl-2-2-pyrrolidone N or derivatives thereof 厦门大学 2019-10-01 CN disclosed
US-7129362-B2 Production of 5-methyl-N-aryl-2-pyrrolidone and 5-methyl-N-alkyl-2-pyrrolidone by reductive of levulinic acid esters with aryl and alkyl amines E. I. DU PONT DE NEMOURS AND COMPANY (US) 2006-10-31 US disclosed
CN-1764379-A Production of 5-methyl-N-aryl-2-pyrrolidone and 5-methyl-N-alkyl-2-pyrrolidone DU PONT (US) 2006-04-26 CN disclosed
US-20050137406-A1 Production of 5-methyl-N-aryl-2-pyrrolidone and 5-methyl-N-alkyl-2-pyrrolidone by reductive of levulinic acid esters with aryl and alkyl amines E. I. DU PONT DE NEMOURS AND COMPANY 2005-06-23 US disclosed
US-20050038265-A1 Production of 5-methyl-N-aryl-2-pyrrolidone and 5-methyl-N-alkyl-2-pyrrolidone by reductive amination of levulinic acid esters with aryl and alkyl amines MANZER LEO ERNEST (US) 2005-02-17 US disclosed
US-20050033062-A1 Production of 5-methyl-N-aryl-2-pyrrolidone and 5-methyl-N-alkyl-2-pyrrolidone by reductive amination of levulinic acid esters with aryl and alkyl amines MANZER LEO ERNEST (US) 2005-02-10 US disclosed
US-20050033063-A1 Production of 5-methyl-N-aryl-2-pyrrolidone and 5-methyl-N-alkyl-2-pyrrolidone by reductive amination of levulinic acid esters with aryl and alkyl amines MANZER LEO ERNEST (US) 2005-02-10 US disclosed
US-20040192938-A1 Production of 5-mehyl-N-aryl-2-pyrrolidone and 5-methyl-N-alkyl-2-pyrrolidone by reductive of levulinic acid esters with aryl and alkyl amines E. I. DU PONT DE NEMOURS AND COMPANY 2004-09-30 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 (5 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-20050033063-A1 Production of 5-methyl-N-aryl-2-pyrrolidone and 5-methyl-N-alkyl-2-pyrrolidone by reductive amination of levulinic acid esters with aryl and alkyl amines ALDH18A1, PNPO, ABAT CHRM2 1774/4885CHRM4 2162/4885CHRM5 580/4885
US-20050137406-A1 Production of 5-methyl-N-aryl-2-pyrrolidone and 5-methyl-N-alkyl-2-pyrrolidone by reductive of levulinic acid esters with aryl and alkyl amines ALDH18A1, PNPO, ABAT CHRM2 1906/4885CHRM4 2310/4885CHRM5 674/4885
US-20040192938-A1 Production of 5-mehyl-N-aryl-2-pyrrolidone and 5-methyl-N-alkyl-2-pyrrolidone by reductive of levulinic acid esters with aryl and alkyl amines PAH, ALDH18A1, PNPO CHRM2 1879/4885CHRM4 1976/4885CHRM5 449/4885
US-20050038265-A1 Production of 5-methyl-N-aryl-2-pyrrolidone and 5-methyl-N-alkyl-2-pyrrolidone by reductive amination of levulinic acid esters with aryl and alkyl amines ALDH18A1, PNPO, ABAT CHRM2 1774/4885CHRM4 2162/4885CHRM5 580/4885
US-20050033062-A1 Production of 5-methyl-N-aryl-2-pyrrolidone and 5-methyl-N-alkyl-2-pyrrolidone by reductive amination of levulinic acid esters with aryl and alkyl amines ALDH18A1, PNPO, ABAT CHRM2 1774/4885CHRM4 2162/4885CHRM5 580/4885

“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.