Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCN9A | Q15858 | 8/20 | 0.51 |
| ▸ | SLC6A2 | P23975 | 4/20 | 0.43 |
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.43 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.43 |
| ▸ | HTR3A | P46098 | 1/20 | 0.39 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | XBP1 | P17861 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | KLF5 | Q13887 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL3479581 | 0.89 | SCN9A (0.53) | SCN9ASLC6A2SLC6A3SLC6A4MCHR1 | |
| SCHEMBL3229176 | 0.86 | SCN9A (0.49) | SCN9ASLC6A2SLC6A3SLC6A4MCHR1 | |
| SCHEMBL3234471 | 0.86 | SLC6A2 (0.57) | SCN9ASLC6A2SLC6A3SLC6A4HTR3A | |
| SCHEMBL3225653 | 0.86 | SCN9A (0.46) | SCN9ASLC6A2SLC6A3SLC6A4HTR3A | |
| SCHEMBL3225457 | 0.86 | SCN9A (0.52) | SCN9ASLC6A2SLC6A3SLC6A4MCHR1 | |
| SCHEMBL3237056 | 0.85 | SCN9A (0.50) | SCN9ASLC6A2SLC6A3SLC6A4MCHR1 | |
| SCHEMBL3223059 | 0.85 | SCN9A (0.45) | SCN9ASLC6A2SLC6A3SLC6A4HTR3A | |
| SCHEMBL3229748 | 0.85 | SCN9A (0.52) | SCN9ASLC6A2SLC6A3SLC6A4MCHR1 | |
| SCHEMBL3226525 | 0.85 | SCN9A (0.51) | SCN9ASLC6A2SLC6A3SLC6A4MCHR1 | |
| SCHEMBL3235921 | 0.85 | SCN9A (0.45) | SCN9ASLC6A2SLC6A3SLC6A4HTR3A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9096546-B2 | Aryl- and heteroaryl-substituted tetrahydrobenzo-1,4-diazepines and use thereof to block reuptake of norepinephrine, dopamine, and serotonin | ALBANY MOLECULAR RESEARCH, INC. (US) | 2015-08-04 | — | — | US | disclosed |
| US-20100137287-A1 | ARYL-AND HETEROARYL-SUBSTITUTED TETRAHYDROBENZO-1,4-DIAZEPINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN | ALBANY MOLECULAR RESEARCH, INC. (US) | 2010-06-03 | — | — | US | disclosed |
| EP-2146722-A1 | ARYL- AND HETEROARYL-SUBSTITUTED TETRAHYDROBENZO-1,4-DIAZEPINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN | AMR Technology, Inc. (US) | 2010-01-27 | — | — | EP | disclosed |
| WO-2008141081-A1 | ARYL- AND HETEROARYL-SUBSTITUTED TETRAHYDROBENZO-1,4-DIAZEPINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN | AMR TECHNOLOGY, INC. (US) | 2008-11-20 | — | — | WO | 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-20100137287-A1 | ARYL-AND HETEROARYL-SUBSTITUTED TETRAHYDROBENZO-1,4-DIAZEPINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN | ADRA1B, ADRB1, ADRA1D | SCN9A 795/4885SLC6A2 28/4885SLC6A3 32/4885 |
“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.