SCHEMBL4336427

SCHEMBL4336427

CCCC(C)CCCCN1CCCC1=O

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.49
ADRA1B P35368 6/20 0.44
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
PKM P14618 1/20 0.41
ADRA1A P35348 3/20 0.40
RAB9A P51151 1/20 0.40
LMNA P02545 1/20 0.39
MALT1 Q9UDY8 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
ADRA1D P25100 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
SCHEMBL1980364 0.98 PIK3CD (0.47) PIK3CDADRA1BKMT2AMEN1PKM
SCHEMBL4329356 0.92 PIK3CD (0.47) PIK3CDADRA1BKMT2AMEN1PKM
SCHEMBL5501695 0.89 PIK3CD (0.47) PIK3CDADRA1BKMT2AMEN1PKM
SCHEMBL5499961 0.89 PIK3CD (0.50) PIK3CDADRA1BKMT2AMEN1PKM
SCHEMBL22600522 0.89 PIK3CD (0.53) PIK3CDADRA1BKMT2AMEN1PKM
SCHEMBL1978043 0.84 PIK3CD (0.51) PIK3CDADRA1BKMT2AMEN1PKM
SCHEMBL19732459 0.84 PIK3CD (0.47) PIK3CDADRA1BKMT2AMEN1PKM
SCHEMBL5502986 0.82 PIK3CD (0.58) PIK3CDADRA1BKMT2AMEN1PKM
SCHEMBL4327116 0.82 PIK3CD (0.58) PIK3CDADRA1BKMT2AMEN1PKM
SCHEMBL28358784 0.82 PIK3CD (0.42) PIK3CDKMT2AMEN1PKMRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105296244-A Insulator electrified cleaning agent YANG CHAO 2016-02-03 CN claimed
CN-105296244-A Insulator electrified cleaning agent YANG CHAO 2016-02-03 CN disclosed
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
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
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-20040192932-A1 Production of N-(methyl aryl)-2-lactam, N-(Methyl cycloalkyl)-2-lactam and N-alkyl-2-lactam by reductive amination of lactones with aryl and alkyl cyano compounds E.I. DU PONT 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-20040192937-A1 PRODUCTION OF N-ARYL-2-LACTAM AND N-CYCLOALKYL-2-LACTAM BY REDUCTIVE AMINATION OF LACTONES WITH ARYL AMINES E. I. DU PONT DE NEMOURS AND COMPANY 2004-09-30 US disclosed
US-20040192935-A1 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 esters with cyano compounds E.I. DU PONT DE NEMOURS AND COMPANY 2004-09-30 US disclosed
US-20040192934-A1 Production of 5-methyl-N-aryl-2-pyrrolidone and 5-methyl-N-alkyl-2-pyrrolidone by reductive amination of levulinic acid esters with nitro compounds E. I. DU PONT DE NEMOURS AND COMPANY 2004-09-30 US 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 (8 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-20040192934-A1 Production of 5-methyl-N-aryl-2-pyrrolidone and 5-methyl-N-alkyl-2-pyrrolidone by reductive amination of levulinic acid esters with nitro compounds PNPO, ALDH18A1, NLN PIK3CD 4020/4885ADRA1B 4083/4885KMT2A 662/4885
US-20040192933-A1 Production of 5-methyl-1-hydrocarbyl-2-pyrrolidone by reductive amination of levulinic acid ALDH18A1, PRMT5, PYCR1 PIK3CD 3986/4885ADRA1B 4142/4885KMT2A 215/4885
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 PIK3CD 3531/4885ADRA1B 3426/4885KMT2A 328/4885
US-20040192937-A1 PRODUCTION OF N-ARYL-2-LACTAM AND N-CYCLOALKYL-2-LACTAM BY REDUCTIVE AMINATION OF LACTONES WITH ARYL AMINES NIT2, AAAS, ASNS PIK3CD 3013/4885ADRA1B 2120/4885KMT2A 152/4885
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 PIK3CD 3189/4885ADRA1B 3457/4885KMT2A 349/4885
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 PIK3CD 4267/4885ADRA1B 3895/4885KMT2A 285/4885
US-20040192932-A1 Production of N-(methyl aryl)-2-lactam, N-(Methyl cycloalkyl)-2-lactam and N-alkyl-2-lactam by reductive amination of lactones with aryl and alkyl cyano compounds AAAS, ASNS, NIT2 PIK3CD 2208/4885ADRA1B 3946/4885KMT2A 91/4885
US-20040192935-A1 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 esters with cyano compounds PNPO, ALDH18A1, RIMKLA PIK3CD 3239/4885ADRA1B 4146/4885KMT2A 656/4885

“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.