Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LCK | P06239 | 8/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | METAP2 | P50579 | 1/20 | 0.47 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | ATR | Q13535 | 1/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.40 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.40 |
| ▸ | RELA | Q04206 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL27537751 | 0.92 | LCK (0.44) | LCKKDM4EMETAP2ATRNFKB1 | |
| SCHEMBL3131919 | 0.87 | LCK (0.60) | LCKNLRP3L3MBTL1HTTALDH1A1 | |
| SCHEMBL108868 | 0.87 | ATR (0.51) | LCKKDM4ENLRP3L3MBTL1HTT | |
| SCHEMBL27969586 | 0.85 | LCK (0.44) | LCKKDM4EMETAP2HTTALDH1A1 | |
| Glycine SCHEMBL27580905 | 0.81 | LMNA (0.54) | LCKNLRP3L3MBTL1HTTALDH1A1 | |
| SCHEMBL12884719 | 0.79 | POLB (0.53) | LCKKDM4ENLRP3ALDH1A1ATR | |
| SCHEMBL29953661 | 0.78 | LCK (0.49) | LCKNLRP3L3MBTL1HTTALDH1A1 | |
| SCHEMBL8529460 | 0.77 | METAP2 (0.54) | LCKKDM4EMETAP2L3MBTL1HTT | |
| SCHEMBL20865564 | 0.77 | LCK (0.50) | LCKNLRP3ALDH1A1ATRCA12 | |
| SCHEMBL27852761 | 0.77 | MEN1 (0.56) | METAP2L3MBTL1HTTALDH1A1CA12 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116547270-A | 4- (2-fluoro-4-methoxy-5-3- (((1-methylcyclobutyl) methyl) carbamoyl) bicyclo [2.2.1] hept-2-yl) carbamoyl) phenoxy) -1-methylcyclohexane-1-carboxylic acid derivatives and similar compounds as RXFP1 modulators for the treatment of heart failure | 阿斯利康(瑞典)有限公司 | 2023-08-04 | — | — | CN | disclosed |
| CN-103992326-A | Indol-hexahydropyrazine-quinazolinone anti-tumour compounds and preparation method thereof | UNIV PLA 2ND MILITARY MEDICAL | 2014-08-20 | — | — | CN | disclosed |
| US-8329688-B2 | Trans-4-[[(5S)-5-[[[3,5-bis(trifluoromethyl)phenyl]methyl](2-methyl-2H-tetrazol-5-yl)amino]-2,3,4,5-tetrahydro-7,9-dimethyl-1H-1-benzazepin-1-yl]methyl]-cyclohexanecarboxylic acid | ELI LILLY AND COMPANY (US) | 2012-12-11 | — | — | US | disclosed |
| US-8299060-B2 | Trans-4-[[(5S)-5-[[[3,5-bis(trifluoromethyl)phenyl]methyl] (2-methyl-2H-tetrazol-5-yl)amino]-2,3,4,5-tetrahydro-7,9-dimethyl-1H-1-benzazepin-1-yl]methyl]-cyclohexanecarboxylic acid | ELI LILLY AND COMPANY (US) | 2012-10-30 | — | — | US | disclosed |
| US-20120058990-A1 | Trans-4-[[(5S)-5-[[[3,5-bis(trifluoromethyl)phenyl]methyl] (2-methyl-2H-tetrazol-5-yl)amino]-2,3,4,5-tetrahydro-7,9-dimethyl-1H-1-benzazepin-1-yl]methyl]-cyclohexanecarboxylic acid | ELI LILLY AND COMPANY (US) | 2012-03-08 | — | — | US | disclosed |
| US-20100331309-A1 | Trans-4-[[(5S)-5-[[[3,5-bis(trifluoromethyl)phenyl]methyl](2-methyl-2H-tetrazol-5-yl)amino]-2,3,4,5-tetrahydro-7,9-dimethyl-1H-1-benzazepin-1-yl]methyl]-cyclohexanecarboxylic acid | ELI LILLY AND COMPANY (US) | 2010-12-30 | — | — | 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 (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.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20120058990-A1 | Trans-4-[[(5S)-5-[[[3,5-bis(trifluoromethyl)phenyl]methyl] (2-methyl-2H-tetrazol-5-yl)amino]-2,3,4,5-tetrahydro-7,9-dimethyl-1H-1-benzazepin-1-yl]methyl]-cyclohexanecarboxylic acid | H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, NT5C, HTR5A | LCK 4274/4885KDM4E 999/4885METAP2 2094/4885 |
| US-20100331309-A1 | Trans-4-[[(5S)-5-[[[3,5-bis(trifluoromethyl)phenyl]methyl](2-methyl-2H-tetrazol-5-yl)amino]-2,3,4,5-tetrahydro-7,9-dimethyl-1H-1-benzazepin-1-yl]methyl]-cyclohexanecarboxylic acid | H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, GRIK5, NT5C | LCK 3787/4885KDM4E 900/4885METAP2 2118/4885 |
“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.