SCHEMBL4635213

SCHEMBL4635213

CCCCCN1C(=O)CCC1C

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 3/20 0.45
CHRM4 P08173 3/20 0.45
CHRM5 P08912 3/20 0.45
CHRM1 P11229 3/20 0.45
CHRM3 P20309 3/20 0.45
PTGER4 P35408 8/20 0.44
PTGER3 P43115 6/20 0.44
PTGER2 P43116 5/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
POLB P06746 1/20 0.43
FAAH O00519 2/20 0.42
MGLL Q99685 2/20 0.42
GBA1 P04062 1/20 0.42
TP53 P04637 2/20 0.40
GAA P10253 1/20 0.40
ALDH1A1 P00352 1/20 0.39
MDM2 Q00987 1/20 0.39

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
Methane SCHEMBL4593708 0.98 CHRM2 (0.44) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL30697351 0.98 PTGER4 (0.46) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL665342 0.98 PTGER4 (0.46) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL4329362 0.98 PTGER4 (0.46) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL4588299 0.98 PTGER4 (0.46) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL4588711 0.98 PTGER4 (0.46) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL4588206 0.98 PTGER4 (0.46) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL664674 0.98 PTGER4 (0.46) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL664648 0.98 PTGER4 (0.46) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL1869119 0.94 MEN1 (0.48) CHRM2CHRM4CHRM5CHRM1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
CN-110294701-B Synthetic method of 5-methyl-2-pyrrolidone or derivatives thereof 厦门大学 2021-07-09 CN disclosed
CN-110615754-A Synthetic method of 5-methyl-2-pyrrolidone 浙江工业大学 2019-12-27 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
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
EP-1605933-A4 PRODUCTION OF 5-METHYL-N-ARYL-2-PYRROLIDONE AND 5- METHYL-N-CYCLOALKYL-2-PYRROLIDONE BY REDUCTIVE AMINATION OF LEVULINIC ACID WITH ARYL AMINES DU PONT (US) 2008-07-02 EP disclosed
EP-1605933-A4 PRODUCTION OF 5-METHYL-N-ARYL-2-PYRROLIDONE AND 5- METHYL-N-CYCLOALKYL-2-PYRROLIDONE BY REDUCTIVE AMINATION OF LEVULINIC ACID WITH ARYL AMINES DU PONT (US) 2008-07-02 EP 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-20040192939-A1 Production of 5-methyl-N-aryl-2-pyrrolidone and 5-methyl-N-cycloalkyl-2-pyrrolidone by reductive amination of levulinic acid with aryl amines MANZER LEO ERNEST (US) 2004-09-30 US disclosed
US-20040192939-A1 Production of 5-methyl-N-aryl-2-pyrrolidone and 5-methyl-N-cycloalkyl-2-pyrrolidone by reductive amination of levulinic acid with aryl amines MANZER LEO ERNEST (US) 2004-09-30 US disclosed
US-20040192939-A1 Production of 5-methyl-N-aryl-2-pyrrolidone and 5-methyl-N-cycloalkyl-2-pyrrolidone by reductive amination of levulinic acid with aryl amines MANZER LEO ERNEST (US) 2004-09-30 US disclosed
US-6743819-B1 METAL CATALYST E. I. DU PONTE DE NEMOURS AND COMPANY 2004-06-01 US disclosed
US-6743819-B1 METAL CATALYST E. I. DU PONTE DE NEMOURS AND COMPANY 2004-06-01 US disclosed
US-6743819-B1 METAL CATALYST E. I. DU PONTE DE NEMOURS AND COMPANY 2004-06-01 US disclosed
EP-0938604-A4 PROCESS FOR IMPROVING POLYAMIDE, ACRYLIC, ARAMID, CELLULOSIC AND POLYESTER PROPERTIES, AND MODIFIED POLYMERS PRODUCED THEREBY INTERA TECHNOLOGIES INC (US) 2000-11-22 EP disclosed
EP-0938604-A1 PROCESS FOR IMPROVING POLYAMIDE, ACRYLIC, ARAMID, CELLULOSIC AND POLYESTER PROPERTIES, AND MODIFIED POLYMERS PRODUCED THEREBY Intera Technologies, Inc. (US) 1999-09-01 EP disclosed
WO-1998012373-A1 PROCESS FOR IMPROVING POLYAMIDE, ACRYLIC, ARAMID, CELLULOSIC AND POLYESTER PROPERTIES, AND MODIFIED POLYMERS PRODUCED THEREBY INTERA TECHNOLOGIES, INC. (US) 1998-03-26 WO 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 (2 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-20040192939-A1 Production of 5-methyl-N-aryl-2-pyrrolidone and 5-methyl-N-cycloalkyl-2-pyrrolidone by reductive amination of levulinic acid with aryl amines PNPO, ASNS, PAH CHRM2 1927/4885CHRM4 2361/4885CHRM5 550/4885
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.