Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | POLB | P06746 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | MGLL | Q99685 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | CCR1 | P32246 | 1/20 | 0.42 |
| ▸ | CCR2 | P41597 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.39 |
| ▸ | CDK2 | P24941 | 1/20 | 0.39 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | PARP1 | P09874 | 1/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL9893056 | 0.85 | CCNA2 (0.41) | CCNA2CDK2CCNA1PARP1SLC6A2 | |
| SCHEMBL9893011 | 0.85 | PER2 (0.40) | TDP1CCNA2CDK2CCNA1PARP1 | |
| SCHEMBL16480398 | 0.83 | PTGER2 (0.38) | TDP1CCNA2CDK2CCNA1KMT2A | |
| SCHEMBL6783035 | 0.81 | KLKB1 (0.46) | ALDH1A1POLBHPGDCCNA2CDK2 | |
| SCHEMBL4636834 | 0.81 | GAA (0.46) | POLBCCNA2CDK2CCNA1KMT2A | |
| SCHEMBL9891752 | 0.80 | ALDH1A1 (0.40) | ALDH1A1POLBKDM4EMGLLCYP1A2 | |
| SCHEMBL25416662 | 0.79 | ALDH1A1 (0.42) | ALDH1A1KDM4ECCNA2CDK2CCNA1 | |
| SCHEMBL16480393 | 0.79 | TDP1 (0.47) | POLBCYP1A2CYP2C19TDP1CCNA2 | |
| SCHEMBL22658820 | 0.79 | SLC6A2 (0.46) | ALDH1A1HPGDTDP1CCR1CCR2 | |
| SCHEMBL10131414 | 0.79 | CYP3A4 (0.41) | MGLLCYP2C19CCR1CCR2CCNA2 |
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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10611786-B2 | Manganese (III) catalyzed C—H aminations | THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) | 2020-04-07 | — | — | US | disclosed |
| US-20190106448-A1 | MANGANESE (III) CATALYZED C--H AMINATIONS | THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) | 2019-04-11 | — | — | US | disclosed |
| US-20190106448-A1 | MANGANESE (III) CATALYZED C--H AMINATIONS | THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) | 2019-04-11 | — | — | US | disclosed |
| EP-2384320-B1 | PYRROLIDINE COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR | BOEHRINGER INGELHEIM INT (DE) | 2015-03-04 | — | — | EP | disclosed |
| US-8629157-B2 | Pyrrolidine compounds which modulate the CB2 receptor | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2014-01-14 | — | — | US | disclosed |
| US-20120142677-A1 | Pyrrolidine Compounds Which Modulate The CB2 Receptor | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2012-06-07 | — | — | US | 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 (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.
| Patent | Title | Text reads most about | Predicted 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 | ALDH1A1 203/4885POLB 2560/4885KDM4E 52/4885 |
| 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 | ALDH1A1 227/4885POLB 2707/4885KDM4E 52/4885 |
| US-20120142677-A1 | Pyrrolidine Compounds Which Modulate The CB2 Receptor | CNR2, CNR1, OPRL1 | ALDH1A1 3279/4885POLB 2879/4885KDM4E 2527/4885 |
| US-10611786-B2 | Manganese (III) catalyzed C—H aminations | HLCS, NCL, NUDC | ALDH1A1 2714/4885POLB 167/4885KDM4E 3215/4885 |
| 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 | ALDH1A1 213/4885POLB 2879/4885KDM4E 37/4885 |
| 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 | ALDH1A1 203/4885POLB 2560/4885KDM4E 52/4885 |
| US-20190106448-A1 | MANGANESE (III) CATALYZED C--H AMINATIONS | HLCS, NCL, NUDC | ALDH1A1 3291/4885POLB 267/4885KDM4E 3356/4885 |
| 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 | ALDH1A1 203/4885POLB 2560/4885KDM4E 52/4885 |
“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.