Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 8/20 | 0.70 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.43 |
| ▸ | HRH2 | P25021 | 1/20 | 0.43 |
| ▸ | HRH1 | P35367 | 1/20 | 0.43 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.43 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.43 |
| ▸ | CCR2 | P41597 | 1/20 | 0.43 |
| ▸ | CXCL12 | P48061 | 1/20 | 0.43 |
| ▸ | BLM | P54132 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.40 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.40 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL20667031 | 0.96 | CXCR4 (0.78) | CXCR4HRH3HRH2HRH1CHRM2 | |
| SCHEMBL22711079 | 0.96 | CXCR4 (0.63) | CXCR4HRH3HRH2HRH1CHRM2 | |
| SCHEMBL12003 | 0.91 | CXCR4 (0.56) | CXCR4HRH3HRH2HRH1CHRM2 | |
| SCHEMBL11443013 | 0.91 | CXCR4 (0.56) | CXCR4HRH3HRH2HRH1CHRM2 | |
| SCHEMBL29943537 | 0.89 | CXCR4 (0.54) | CXCR4HRH3HRH2HRH1CHRM2 | |
| Hydrochloric Acid SCHEMBL6955567 | 0.89 | CXCR4 (0.54) | CXCR4HRH3HRH2HRH1CHRM2 | |
| SCHEMBL8714265 | 0.89 | CXCR4 (0.59) | CXCR4HRH3HRH2HRH1CHRM2 | |
| Piperazine SCHEMBL28092893 | 0.89 | CXCR4 (0.59) | CXCR4HRH3HRH2HRH1CHRM2 | |
| SCHEMBL969503 | 0.87 | CXCR4 (0.63) | CXCR4HRH3HRH2HRH1CHRM2 | |
| SCHEMBL12958912 | 0.87 | CXCR4 (0.63) | CXCR4HRH3HRH2HRH1CHRM2 |
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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110294972-A | A kind of ink | 深圳TCL工业研究院有限公司 | 2019-10-01 | — | — | CN | claimed |
| US-4751298-A | Production of 1-(3-hydroxy-propyl)-1,4-diazepane and 1,4-bis(3,4,5-trimethoxy-benzoyloxy)-propyl-diazepane derivatives thereof | DEGUSSA AKTIENGESELLSCHAFT (DE) | 1988-06-14 | — | — | US | claimed |
| EP-0152598-B1 | Cyanomethyl-(2-cyano-ethyl)-(3-hydroxy-propyl)-amine and its use for the production of 1-(3-hydroxy-propyl)-1,4-diazepan and 1,4-bis-[3-(3,4,5-trimethoxy-benzoyloxy)-propyl]-diazepan | Degussa Aktiengesellschaft (DE) | 1988-04-20 | — | — | EP | claimed |
| EP-0152598-A1 | Cyanomethyl-(2-cyano-ethyl)-(3-hydroxy-propyl)-amine and its use for the production of 1-(3-hydroxy-propyl)-1,4-diazepan and 1,4-bis-[3-(3,4,5-trimethoxy-benzoyloxy)-propyl]-diazepan | Degussa Aktiengesellschaft (DE) | 1985-08-28 | — | — | EP | claimed |
| WO-2023196930-A2 | NICOTINAMIDE- AND BENZAMIDE-BASED COMPOUNDS, CONJUGATES, AND COMPOSITIONS AS INHIBITORS OF TRANSLATIONAL- AND TRANSCRIPTIONAL-RELATED KINASES | PURDUE RESEARCH FOUNDATION (US) | 2023-10-12 | — | — | WO | disclosed |
| CN-116535365-A | Macrocyclic diamine derivatives and their combination with adenosine receptor antagonists as ENT inhibitors for the treatment of cancer | ITEOS比利时公司 | 2023-08-04 | — | — | CN | disclosed |
| US-20230203058-A1 | MACROCYCLIC DIAMINE DERIVATIVES AS ENT INHIBITORS FOR THE TREATMENT OF CANCERS, AND COMBINATION THEREOF WITH ADENOSINE RECEPTOR ANTAGONISTS | iTeos Belgium SA (BE) | 2023-06-29 | — | — | US | disclosed |
| US-20230203058-A1 | MACROCYCLIC DIAMINE DERIVATIVES AS ENT INHIBITORS FOR THE TREATMENT OF CANCERS, AND COMBINATION THEREOF WITH ADENOSINE RECEPTOR ANTAGONISTS | iTeos Belgium SA (BE) | 2023-06-29 | — | — | US | disclosed |
| CN-115768773-A | Macrocyclic diamine derivatives as ENT inhibitors for the treatment of cancer and combinations thereof with adenosine receptor antagonists | ITEOS比利时公司 | 2023-03-07 | — | — | CN | disclosed |
| EP-4132933-A1 | MACROCYCLIC DIAMINE DERIVATIVES AS ENT INHIBITORS FOR THE TREATMENT OF CANCERS, AND COMBINATION THEREOF WITH ADENOSINE RECEPTOR ANTAGONISTS | iTeos Belgium SA (BE) | 2023-02-15 | — | — | EP | disclosed |
| EP-3828164-A1 | NOVEL AUTOPHAGY-TARGETING CHIMERA (AUTOTAC) COMPOUND, AND COMPOSITION FOR PREVENTING, ALLEVIATING, OR TREATING DISEASES THROUGH TARGET PROTEIN DEGRADATION COMPRISING SAME | Protech Co., Ltd. (KR) | 2021-06-02 | — | — | EP | disclosed |
| CN-110294972-A | A kind of ink | 深圳TCL工业研究院有限公司 | 2019-10-01 | — | — | CN | disclosed |
| US-4751298-A | Production of 1-(3-hydroxy-propyl)-1,4-diazepane and 1,4-bis(3,4,5-trimethoxy-benzoyloxy)-propyl-diazepane derivatives thereof | DEGUSSA AKTIENGESELLSCHAFT (DE) | 1988-06-14 | — | — | US | disclosed |
| EP-0152598-B1 | Cyanomethyl-(2-cyano-ethyl)-(3-hydroxy-propyl)-amine and its use for the production of 1-(3-hydroxy-propyl)-1,4-diazepan and 1,4-bis-[3-(3,4,5-trimethoxy-benzoyloxy)-propyl]-diazepan | Degussa Aktiengesellschaft (DE) | 1988-04-20 | — | — | EP | disclosed |
| EP-0152598-B1 | Cyanomethyl-(2-cyano-ethyl)-(3-hydroxy-propyl)-amine and its use for the production of 1-(3-hydroxy-propyl)-1,4-diazepan and 1,4-bis-[3-(3,4,5-trimethoxy-benzoyloxy)-propyl]-diazepan | Degussa Aktiengesellschaft (DE) | 1988-04-20 | — | — | EP | disclosed |
| EP-0152598-A1 | Cyanomethyl-(2-cyano-ethyl)-(3-hydroxy-propyl)-amine and its use for the production of 1-(3-hydroxy-propyl)-1,4-diazepan and 1,4-bis-[3-(3,4,5-trimethoxy-benzoyloxy)-propyl]-diazepan | Degussa Aktiengesellschaft (DE) | 1985-08-28 | — | — | EP | disclosed |
| EP-0152598-A1 | Cyanomethyl-(2-cyano-ethyl)-(3-hydroxy-propyl)-amine and its use for the production of 1-(3-hydroxy-propyl)-1,4-diazepan and 1,4-bis-[3-(3,4,5-trimethoxy-benzoyloxy)-propyl]-diazepan | Degussa Aktiengesellschaft (DE) | 1985-08-28 | — | — | EP | disclosed |
| US-4169144-A | Trimethoxyphenyl esters of homopiperazine-n-monoalkanol as vasodilators | HOKURIKU PHARMACEUTICAL CO., LTD. (JP) | 1979-09-25 | — | — | US | disclosed |
| US-4068069-A | Novel piperazine- and homopiperazine- monoalkanol esters and a process of production thereof | HOKURIKU PHARMACEUTICAL CO., LTD. (JA) | 1978-01-10 | — | — | US | disclosed |
| US-3980643-A | ANALGESICS, CORONARY VASODILATORS, ANTICONVULSANTS, BLOOD PRESSURE DECREASING | HOKURIKU PHARMACEUTICAL CO., LTD. (JA) | 1976-09-14 | — | — | 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 (1 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-20230203058-A1 | MACROCYCLIC DIAMINE DERIVATIVES AS ENT INHIBITORS FOR THE TREATMENT OF CANCERS, AND COMBINATION THEREOF WITH ADENOSINE RECEPTOR ANTAGONISTS | ENTPD1, SLC29A1, ENTPD5 | CXCR4 449/4885HRH3 1183/4885HRH2 1287/4885 |
“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.