SCHEMBL4642236

SCHEMBL4642236

CCc1ccccc1N1C(=O)CCC1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.46
MEN1 O00255 1/20 0.46
MAPT P10636 1/20 0.46
KMT2A Q03164 1/20 0.46
NOTUM Q6P988 2/20 0.45
MGLL Q99685 1/20 0.43
TSHR P16473 1/20 0.43
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
ALOX5 P09917 1/20 0.42
PER2 O15055 3/20 0.41
GAA P10253 1/20 0.41
GFER P55789 1/20 0.41
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM5 P08912 1/20 0.38
CHRM1 P11229 1/20 0.38
DRD2 P14416 1/20 0.38
CHRM3 P20309 1/20 0.38
DRD4 P21917 1/20 0.38

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
SCHEMBL4644618 0.81 NOTUM (0.46) LMNAMEN1MAPTKMT2ANOTUM
SCHEMBL18593390 0.80 NOTUM (0.45) NOTUMPER2GAA
SCHEMBL4644950 0.78 HTR7 (0.48) MEN1KMT2ANOTUMMGLLGAA
SCHEMBL4739954 0.78 FAAH (0.46) NOTUMMGLLPER2
SCHEMBL609915 0.75 NOTUM (0.42) MEN1MAPTKMT2ANOTUMTSHR
SCHEMBL29526585 0.75 ALDH1A1 (0.48) LMNAMAPTKMT2ANOTUM
SCHEMBL16480455 0.74 PARP1 (0.41) MEN1KMT2ANOTUMCHRM4DRD2
SCHEMBL4644173 0.73 ALDH1A1 (0.43) MEN1KMT2AMGLLPARP1
SCHEMBL16480456 0.69 CD274 (0.45) MAPTCASP1CASP7GAA
SCHEMBL11513544 0.68 ALOX5 (0.50) LMNAMEN1MAPTKMT2AMGLL

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 12 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
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 LMNA 2302/4885MEN1 2826/4885MAPT 2001/4885
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 LMNA 2835/4885MEN1 2949/4885MAPT 1803/4885
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 LMNA 2473/4885MEN1 1674/4885MAPT 1747/4885
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 LMNA 2302/4885MEN1 2826/4885MAPT 2001/4885
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 LMNA 2302/4885MEN1 2826/4885MAPT 2001/4885

“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.