SCHEMBL4338411

SCHEMBL4338411

CC(O)N1C(=O)CCC1C

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PER2 O15055 6/20 0.37
CHRM2 P08172 3/20 0.34
CHRM4 P08173 3/20 0.34
CHRM5 P08912 3/20 0.34
CHRM1 P11229 3/20 0.34
CHRM3 P20309 3/20 0.34
CRY2 Q49AN0 1/20 0.34
TSHR P16473 2/20 0.33
HSD17B10 Q99714 1/20 0.33
ACE P12821 2/20 0.33
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
PHGDH O43175 1/20 0.30
KMT2A Q03164 1/20 0.30
P2RX7 Q99572 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
SCHEMBL22541564 0.83 TSHR (0.38) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL24731109 0.83 TSHR (0.38) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL4338609 0.83 TSHR (0.38) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL12646289 0.79 CHRM2 (0.38) PER2CHRM2CHRM4CHRM5CHRM1
SCHEMBL2347093 0.79 CHRM2 (0.35) PER2CHRM2CHRM4CHRM5CHRM1
SCHEMBL13274981 0.79 CHRM2 (0.35) PER2CHRM2CHRM4CHRM5CHRM1
SCHEMBL13280450 0.79 CHRM2 (0.35) PER2CHRM2CHRM4CHRM5CHRM1
SCHEMBL13075650 0.77 KMT2A (0.38) PER2CHRM2CHRM4CHRM5CHRM1
SCHEMBL19420021 0.76 ALDH1A1 (0.38) PER2CHRM2CHRM4CHRM5CHRM1
SCHEMBL17305513 0.76 RAB9A (0.35) PER2CHRM2CHRM4CHRM5CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7612216-B2 Utilizing metal catalyst; one step; low cost E.I. DU PONT DE NEMOURS AND COMPANY (US) 2009-11-03 US disclosed
EP-1613573-A4 PRODUCTION OF 5-METHYL-1-HYDROCARBYL-2-PYRROLIDONE BY REDUCTIVE AMINATION OF LEVULINIC ACID DU PONT (US) 2008-10-29 EP disclosed
EP-1605934-A4 PRODUCTION OF 5-METHYL-N-(METHYL ARYL)-2-PYRROLIDONE, 5-METHYL-N-(METHYL CYCLOALKYL)-2-PYRROLIDONE AND 5-METHYL-N-ALKYL-2-PYRROLIDONE DU PONT (US) 2008-10-08 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-1606252-A4 PRODUCTION OF N-(METHYL-ARYL)-2-LACTAM, N-(METHYL CYCLOAKLYL)-2-LACTAM AND N-ALKYL-2-LACTAM BY REDUCTIVE AMINATION OF LACTONES WITH ARYL AND ALKYCYANO COMPOUNDS DU PONT (US) 2008-08-06 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-1606046-A4 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 LEUVLINIC ACID ESTERS WITH CYANO COMPOUNDS DU PONT (US) 2008-06-25 EP disclosed
EP-1605753-A4 PRODUCTION OF N-ARYL-2-LACTAM AND N-CYCLOALKYL-2-LACTAM BY REDUCTIVE AMINATION OF LACTONES WITH ARYL AMINES DU PONT (US) 2008-03-12 EP disclosed
EP-1606253-A4 PRODUCTION OF 5-METHYL-N-ARYL-2-PYRROLIDONE AND 5-METHYL-N-ALKYL-2-PYRROLIDONE BY REDUCTIVE AMINATION OF LEUVLINIC ACID ESTERS WITH NITRO COMPOUNDS DU PONT (US) 2008-03-05 EP disclosed
EP-1605754-A4 PRODUCTION OF 5-METHYL-N-ARYL-2-PYRROLIDONE AND 5-METHYL-N-ALKYL-2-PYRROLIDONE BY REDUCTIVE AMINATION OF LEVULINIC ACID WITH NITRO COMPOUNDS DU PONT (US) 2008-03-05 EP 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
WO-2004085347-A2 PRODUCTION OF N-ARYL-2-LACTAM AND N-ALKYL-2-LACTAM BY REDUCTIVE AMINATION OF LACTONES WITH ARYL AND ALKYL NITRO COMPOUNDS E.I. DUPONT DE NEMOURS AND COMPANY (US) 2004-10-07 WO disclosed
WO-2004085047-A2 PRODUCTION OF N-(METHYL-ARYL)-2-LACTAM, N-(METHYLCYCLOAKLYL)-2-LACTAM AND N-ALKYL-2-LACTAM E.I. DUPONT DE NEMOURS AND COMPANY (US) 2004-10-07 WO disclosed
WO-2004084887-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 E.I. DUPONT DE NEMOURS AND COMPANY (US) 2004-10-07 WO disclosed
WO-2004084888-A1 PRODUCTION OF 5-METHYL-N-(METHYL ARYL)-2-PYRROLIDONE, 5-METHYL-N-(METHYL CYCLOALKYL)-2-PYRROLIDONE AND 5-METHYL-N-ALKYL-2-PYRROLIDONE E.I. DUPONT DE NEMOURS AND COMPANY (US) 2004-10-07 WO disclosed
WO-2004084633-A1 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. DUPONT DE NEMOURS AND COMPANY (US) 2004-10-07 WO disclosed
WO-2004085048-A2 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 LEUVLINIC ACID ESTERS WITH CYANO COMPOUNDS 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
US-20040192933-A1 Production of 5-methyl-1-hydrocarbyl-2-pyrrolidone by reductive amination of levulinic acid 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

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-20040192933-A1 Production of 5-methyl-1-hydrocarbyl-2-pyrrolidone by reductive amination of levulinic acid ALDH18A1, PRMT5, PYCR1 PER2 2076/4885CHRM2 1334/4885CHRM4 2126/4885
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 PER2 2467/4885CHRM2 1879/4885CHRM4 1976/4885

“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.