Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 3/20 | 0.55 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.45 |
| ▸ | BCHE | P06276 | 3/20 | 0.42 |
| ▸ | TAAR1 | Q96RJ0 | 4/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | GLA | P06280 | 1/20 | 0.41 |
| ▸ | BLM | P54132 | 1/20 | 0.41 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.37 |
| ▸ | ACHE | P22303 | 1/20 | 0.37 |
| ▸ | MAOB | P27338 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL1206183 | 0.90 | CXCR4 (0.58) | CXCR4BCHETAAR1 | |
| SCHEMBL1206102 | 0.90 | BCHE (0.55) | CXCR4HRH3BCHEACHEMAOB | |
| SCHEMBL1205067 | 0.86 | CXCR4 (0.51) | CXCR4HRH3BCHETAAR1CYP2D6 | |
| SCHEMBL1205969 | 0.85 | BCHE (0.58) | CXCR4BCHEACHEMAOB | |
| SCHEMBL14587601 | 0.85 | BCHE (0.50) | CXCR4HRH3BCHEACHEMAOB | |
| SCHEMBL1638066 | 0.84 | CXCR4 (0.53) | CXCR4HRH3TAAR1CYP2D6TSHR | |
| SCHEMBL1638068 | 0.84 | CXCR4 (0.53) | CXCR4HRH3TAAR1CYP2D6TSHR | |
| SCHEMBL1206167 | 0.82 | CXCR4 (0.78) | CXCR4HRH3TAAR1CYP2D6TSHR | |
| SCHEMBL1205938 | 0.81 | CXCR4 (0.50) | CXCR4HRH3TAAR1CYP2D6TSHR | |
| SCHEMBL1637031 | 0.79 | CXCR4 (0.58) | CXCR4HRH3BCHETAAR1CYP2D6 |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20050165063-A1 | Amine compounds and use thereof | KUREHA CHEMICAL INDUSTRY COMPANY, LIMITED. (JP) | 2005-07-28 | — | — | US | claimed |
| EP-1550657-A1 | AMINE COMPOUNDS AND USE THEREOF | Kureha Chemical Industry Co., Ltd. (JP) | 2005-07-06 | — | — | EP | claimed |
| US-20110046113-A1 | AMINE COMPOUND AND USE THEREOF | KUREHA CORPORATION (JP) | 2011-02-24 | — | — | US | disclosed |
| US-20110046113-A1 | AMINE COMPOUND AND USE THEREOF | KUREHA CORPORATION (JP) | 2011-02-24 | — | — | US | disclosed |
| US-7833991-B2 | For use as antimetastatic agent or antiviral agent for HIV infection; N-(4-dipropylaminomethylphenyl)-4-{[(1H-imidazol-2-ylmethyl)-(1-methyl-1H-imidazol-2-ylmethyl)-amino]-methyl}-benzamide; chemokine receptor CXCR4 antagonists | KUREHA CORPORATION (JP) | 2010-11-16 | — | — | US | disclosed |
| US-7833991-B2 | For use as antimetastatic agent or antiviral agent for HIV infection; N-(4-dipropylaminomethylphenyl)-4-{[(1H-imidazol-2-ylmethyl)-(1-methyl-1H-imidazol-2-ylmethyl)-amino]-methyl}-benzamide; chemokine receptor CXCR4 antagonists | KUREHA CORPORATION (JP) | 2010-11-16 | — | — | US | disclosed |
| US-7833991-B2 | For use as antimetastatic agent or antiviral agent for HIV infection; N-(4-dipropylaminomethylphenyl)-4-{[(1H-imidazol-2-ylmethyl)-(1-methyl-1H-imidazol-2-ylmethyl)-amino]-methyl}-benzamide; chemokine receptor CXCR4 antagonists | KUREHA CORPORATION (JP) | 2010-11-16 | — | — | US | disclosed |
| US-20070208033-A1 | For use as antimetastatic agent or antiviral agent for HIV infection; N-(4-dipropylaminomethylphenyl)-4-{[(1H-imidazol-2-ylmethyl)-(1-methyl-1H-imidazol-2-ylmethyl)-amino]-methyl}-benzamide; chemokine receptor CXCR4 antagonists | KUREHA CORPORATION (JP) | 2007-09-06 | — | — | US | disclosed |
| US-20070208033-A1 | For use as antimetastatic agent or antiviral agent for HIV infection; N-(4-dipropylaminomethylphenyl)-4-{[(1H-imidazol-2-ylmethyl)-(1-methyl-1H-imidazol-2-ylmethyl)-amino]-methyl}-benzamide; chemokine receptor CXCR4 antagonists | KUREHA CORPORATION (JP) | 2007-09-06 | — | — | US | disclosed |
| US-20070208033-A1 | For use as antimetastatic agent or antiviral agent for HIV infection; N-(4-dipropylaminomethylphenyl)-4-{[(1H-imidazol-2-ylmethyl)-(1-methyl-1H-imidazol-2-ylmethyl)-amino]-methyl}-benzamide; chemokine receptor CXCR4 antagonists | KUREHA CORPORATION (JP) | 2007-09-06 | — | — | US | disclosed |
| US-7176227-B2 | For example, N-(4-{[bis(1H-imidazol-2-ylmethyl)-amino]-methyl}-benzyl)-N',N'-dipropylbutane-1,4-diamine; efficacious against diseases such as infection with HIV virus, rheumatism, and cancer metastasis | KUREHA CORPORATION (JP) | 2007-02-13 | — | — | US | disclosed |
| US-7176227-B2 | For example, N-(4-{[bis(1H-imidazol-2-ylmethyl)-amino]-methyl}-benzyl)-N',N'-dipropylbutane-1,4-diamine; efficacious against diseases such as infection with HIV virus, rheumatism, and cancer metastasis | KUREHA CORPORATION (JP) | 2007-02-13 | — | — | US | disclosed |
| US-7176227-B2 | For example, N-(4-{[bis(1H-imidazol-2-ylmethyl)-amino]-methyl}-benzyl)-N',N'-dipropylbutane-1,4-diamine; efficacious against diseases such as infection with HIV virus, rheumatism, and cancer metastasis | KUREHA CORPORATION (JP) | 2007-02-13 | — | — | US | disclosed |
| US-20050165063-A1 | Amine compounds and use thereof | KUREHA CHEMICAL INDUSTRY COMPANY, LIMITED. (JP) | 2005-07-28 | — | — | US | disclosed |
| EP-1550657-A1 | AMINE COMPOUNDS AND USE THEREOF | Kureha Chemical Industry Co., Ltd. (JP) | 2005-07-06 | — | — | EP | 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 (3 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-20050165063-A1 | Amine compounds and use thereof | NR0B2, NR5A2, NR1H4 | CXCR4 90/4885HRH3 57/4885BCHE 2765/4885 |
| US-20110046113-A1 | AMINE COMPOUND AND USE THEREOF | NR0B2, NR1D2, NR0B1 | CXCR4 76/4885HRH3 54/4885BCHE 1799/4885 |
| US-20070208033-A1 | For use as antimetastatic agent or antiviral agent for HIV infection; N-(4-dipropylaminomethylphenyl)-4-{[(1H-imidazol-2-ylmethyl)-(1-methyl-1H-imidazol-2-ylmethyl)-amino]-methyl}-benzamide; chemokine receptor CXCR4 antagonists | CXCR4, CXCR6, CCR5 | CXCR4 1/4885HRH3 66/4885BCHE 3636/4885 |
“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.