SCHEMBL4681145

SCHEMBL4681145

CC1CCC(=O)N1C1CCCC1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 3/20 0.39
CHRM2 P08172 2/20 0.39
CHRM4 P08173 2/20 0.39
CHRM5 P08912 2/20 0.39
CHRM1 P11229 2/20 0.39
CHRM3 P20309 2/20 0.39
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 2/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA4 P22748 1/20 0.37
GSK3A P49840 1/20 0.36
GSK3B P49841 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL4681766 0.98 HTT (0.43) HTTL3MBTL1ALDH1A1CHRM2CHRM4
SCHEMBL2991774 0.98 HTT (0.43) HTTL3MBTL1ALDH1A1CHRM2CHRM4
SCHEMBL4670206 0.85 PKM (0.39) HTTL3MBTL1ALDH1A1CHRM2CHRM4
SCHEMBL17001872 0.82 CHRM2 (0.36) L3MBTL1ALDH1A1CHRM2CHRM4CHRM5
SCHEMBL17001874 0.82 CHRM2 (0.36) L3MBTL1ALDH1A1CHRM2CHRM4CHRM5
SCHEMBL18444558 0.82 PLG (0.34) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL17001769 0.82 PLG (0.34) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL17001786 0.82 PLG (0.34) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL4685029 0.79 CHRM2 (0.37) HTTALDH1A1CHRM2CHRM4CHRM5
SCHEMBL4684804 0.79 CHRM2 (0.34) L3MBTL1ALDH1A1CHRM2CHRM4CHRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116422367-B Zirconium-silicon molecular sieve encapsulated platinum sub-nanoparticle catalyst and preparation method and application thereof 天津师范大学 2025-01-28 CN claimed
CN-116422367-A Zirconium-silicon molecular sieve encapsulated platinum sub-nanoparticle catalyst and preparation method and application thereof 天津师范大学 2023-07-14 CN claimed
CN-116422367-B Zirconium-silicon molecular sieve encapsulated platinum sub-nanoparticle catalyst and preparation method and application thereof 天津师范大学 2025-01-28 CN disclosed
CN-116422367-A Zirconium-silicon molecular sieve encapsulated platinum sub-nanoparticle catalyst and preparation method and application thereof 天津师范大学 2023-07-14 CN disclosed
EP-1605756-A4 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 DU PONT (US) 2008-08-13 EP 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
EP-1605756-A2 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 E.I. DUPONT DE NEMOURS AND COMPANY (US) 2005-12-21 EP 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
WO-2004085348-A2 PRODUCTION OF 5-METHYL-N-ARYL-2-PYRROLIDONE AND 5-METHYL-N-ALKYL-2-PYRROLIDONE E.I. DUPONT DE NEMOURS AND COMPANY (US) 2004-10-07 WO 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 HTT 829/4885L3MBTL1 3534/4885ALDH1A1 203/4885
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 HTT 781/4885L3MBTL1 3773/4885ALDH1A1 227/4885
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 HTT 830/4885L3MBTL1 2897/4885ALDH1A1 213/4885
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 HTT 829/4885L3MBTL1 3534/4885ALDH1A1 203/4885
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 HTT 829/4885L3MBTL1 3534/4885ALDH1A1 203/4885

“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.