SCHEMBL4644950

SCHEMBL4644950

COc1ccccc1N1C(=O)CCC1C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 3/20 0.48
MGLL Q99685 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
CYP1A2 P05177 1/20 0.45
HTR1A P08908 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
HPGD P15428 1/20 0.45
ALDH1A1 P00352 3/20 0.45
POLB P06746 2/20 0.45
ATM Q13315 1/20 0.45
GAA P10253 2/20 0.43
CASP3 P42574 1/20 0.43
CASP6 P55212 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
KDM4E B2RXH2 2/20 0.43
HSD17B10 Q99714 2/20 0.43

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
SCHEMBL16102918 0.80 HTR7 (0.44) HTR7MGLLMEN1KMT2ACYP1A2
SCHEMBL19974915 0.80 KMT2A (0.45) HTR7MGLLKMT2AALDH1A1POLB
SCHEMBL16102919 0.80 HTR7 (0.44) HTR7MGLLMEN1KMT2ACYP1A2
SCHEMBL4644618 0.79 NOTUM (0.46) MGLLMEN1KMT2AALDH1A1ATM
SCHEMBL4642236 0.78 LMNA (0.46) MGLLMEN1KMT2AGAANOTUM
SCHEMBL18593390 0.78 NOTUM (0.45) POLBGAAKDM4ENOTUM
SCHEMBL3001942 0.77 HTR7 (0.44) HTR7MGLLMEN1KMT2AHPGD
SCHEMBL4739954 0.75 FAAH (0.46) MGLLALOX15NOTUM
SCHEMBL609915 0.73 NOTUM (0.42) MEN1KMT2ACYP1A2HPGDALDH1A1
SCHEMBL29526585 0.73 ALDH1A1 (0.48) KMT2AHTR1AALDH1A1POLBHSD17B10

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 HTR7 561/4885MGLL 2692/4885MEN1 2826/4885
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 HTR7 647/4885MGLL 2588/4885MEN1 2949/4885
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 HTR7 339/4885MGLL 895/4885MEN1 1674/4885
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 HTR7 561/4885MGLL 2692/4885MEN1 2826/4885
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 HTR7 561/4885MGLL 2692/4885MEN1 2826/4885

“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.