SCHEMBL4082877

SCHEMBL4082877

C=CCN1C(=O)CCC1C

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 3/20 0.46
CHRM4 P08173 3/20 0.46
CHRM5 P08912 3/20 0.46
CHRM1 P11229 3/20 0.46
CHRM3 P20309 3/20 0.46
CYP3A4 P08684 1/20 0.40
PER2 O15055 7/20 0.38
CRY2 Q49AN0 1/20 0.35
MAPT P10636 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SRD5A1 P18405 1/20 0.34
SRD5A2 P31213 1/20 0.34
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
AR P10275 1/20 0.33
PRCP P42785 1/20 0.33

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
SCHEMBL11207217 0.80
SCHEMBL16830251 0.79 ALDH1A1 (0.35) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL16830249 0.77 MAPT (0.36) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL17946144 0.75
SCHEMBL2379257 0.75
SCHEMBL7621988 0.74 CHRM2 (0.47) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL9851987 0.74 CYP3A4 (0.33) CYP3A4ALDH1A1
SCHEMBL9851985 0.74 CYP3A4 (0.33) CYP3A4ALDH1A1
SCHEMBL9851999 0.74 FAAH (0.36) PER2MAPTSRD5A1SRD5A2AR
SCHEMBL9852001 0.74 FAAH (0.36) PER2MAPTSRD5A1SRD5A2AR

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 199 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016135268-A1 METHOD FOR PREPARING A CHEMICAL COMPOUND USING A RUTHENIUM METAL CATALYST ON A ZIRCONIUM OXIDE SUPPORT IN THE PRESENCE OF A CONTAMINANT UNIVERSITEIT UTRECHT HOLDING B.V. (NL) 2016-09-01 WO claimed
WO-2015026234-A1 SUPPORTED METAL NANOPARTICLE-BASED CATALYST FOR THE HYDROGENATION OF A LEVULINIC ACID SOURCE UNIVERSITEIT UTRECHT HOLDING B.V. (NL) 2015-02-26 WO claimed
US-7465813-B2 Process for making 5-methyl-N-alkyl-2-pyrrolidone from alkyl amine(s) and levulinic acid E. I. DU PONT DE NEMOURS + COMPANY (US) 2008-12-16 US claimed
US-20060247444-A1 Process for making 5-methyl-N-alkyl-2-pyrrolidone from alkyl amine(s) and levulinic acid E. I. DU PONT DE NEMOURS AND COMPANY 2006-11-02 US claimed
US-20060247443-A1 Process for making 5-methyl -N-alkyl-2-pyrrolidone from alkyl amines and alkyl levulinate esters E. I. DU PONT DE NEMOURS AND COMPANY 2006-11-02 US claimed
EP-1663967-A1 PROCESS FOR CONVERTING a-ANGELICA LACTONE TO 5-METHYL-N-ALKYL -2-PYRROLIDONE USING ALKYL AMINES E. I. du Pont de Nemours and Company (US) 2006-06-07 EP claimed
US-7030249-B2 Process for converting α-angelica lactone to 5-methyl-N-alkyl-2-pyrrolidone using alkyl amines E. I. UPONT DE NEMOURS AND COMPANY (US) 2006-04-18 US claimed
WO-2005026115-A1 PROCESS FOR CONVERTING α-ANGELICA LACTONE TO 5-METHYL-N-ALKYL-2-PYRROLIDONE USING ALKYL AMINES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2005-03-24 WO claimed
US-20050054861-A1 Process for converting alpha-angelica lactone to 5-methyl-N-alkyl-2-pyrrolidone using alkyl amines E. I. DU PONT DE NEMOURS AND COMPANY 2005-03-10 US claimed
US-6841520-B2 Production of 5-methyl-N-(methyl aryl)-2-pyrrolidone, 5-methyl-N-(methyl cycloalkyl)-2-pyrrolidone and 5-methyl-N-alkyl-2-pyrrolidone by reductive amination of levulinic acid with cyano compounds E. I. DU PONT DE NEMOURS AND COMPANY (US) 2005-01-11 US claimed
US-6818593-B2 Production of 5-Methyl-N-aryl-2-pyrrolidone and 5-methyl-N-alkyl-2-pyrrolidone by reductive amination of levulinic acid with nitro compounds E. I. DU PONT DE NEMOURS AND COMPANY 2004-11-16 US claimed
CN-114934082-B Method for synthesizing (S) -5-methyl-2-pyrrolidone by continuous flow biocatalysis 华东理工大学 2024-03-26 CN disclosed
CN-114686451-B Amine dehydrogenase mutant and application thereof in preparation of (S) -5-methyl-2-pyrrolidone 华东理工大学 2024-03-08 CN disclosed
CN-114934082-A Method for continuous flow biocatalytic synthesis of (S) -5-methyl-2-pyrrolidone 华东理工大学 2022-08-23 CN disclosed
CN-114686451-A Amine dehydrogenase mutant and application thereof in preparation of (S) -5-methyl-2-pyrrolidone 华东理工大学 2022-07-01 CN disclosed
US-20040192936-A1 PRODUCTION OF N-ARYL-2-LACTAM AND N-ALKYL-2-LACTAM BY REDUCTIVE AMINATION OF LACTONES WITH ARYL AND ALKYL NITRO COMPOUNDS E. I. DU PONT DE NEMOURS AND COMPANY 2004-09-30 US disclosed
US-6743819-B1 METAL CATALYST E. I. DU PONTE DE NEMOURS AND COMPANY 2004-06-01 US disclosed
US-6444677-B2 TREATMENT OF INFLAMMATION, CARDIOVASCULAR DISEASE, PAIN, ETC. PFIZER INC. 2002-09-03 US disclosed
US-20010046993-A1 5-memberd heteroaryl substituted 1,4-dihydropyridine compounds as bradykinin antagonists IKEDA TAKAFUMI (JP) 2001-11-29 US disclosed
EP-1106614-A1 5-Membered heteroaryl substituted 1,4-dihydropyridine compounds as bradykinin antagonists PFIZER INC. (US) 2001-06-13 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 (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-20060247444-A1 Process for making 5-methyl-N-alkyl-2-pyrrolidone from alkyl amine(s) and levulinic acid GRIK5, ALDH18A1, ALAD CHRM2 2492/4885CHRM4 2929/4885CHRM5 571/4885
US-20060247443-A1 Process for making 5-methyl -N-alkyl-2-pyrrolidone from alkyl amines and alkyl levulinate esters ALDH18A1, ADH5, PRMT5 CHRM2 2385/4885CHRM4 2125/4885CHRM5 506/4885
US-20050054861-A1 Process for converting alpha-angelica lactone to 5-methyl-N-alkyl-2-pyrrolidone using alkyl amines DNMT1, TET2, PRMT5 CHRM2 2650/4885CHRM4 2984/4885CHRM5 1576/4885
US-20010046993-A1 5-memberd heteroaryl substituted 1,4-dihydropyridine compounds as bradykinin antagonists BDKRB1, BDKRB2, CNR2 CHRM2 501/4885CHRM4 424/4885CHRM5 337/4885
US-20040192936-A1 PRODUCTION OF N-ARYL-2-LACTAM AND N-ALKYL-2-LACTAM BY REDUCTIVE AMINATION OF LACTONES WITH ARYL AND ALKYL NITRO COMPOUNDS NIT2, NANS, ASNS CHRM2 3392/4885CHRM4 3408/4885CHRM5 3471/4885

“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.