Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.63 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.60 |
| ▸ | HTR1A | P08908 | 1/20 | 0.56 |
| ▸ | DRD2 | P14416 | 1/20 | 0.56 |
| ▸ | HTR2B | P41595 | 1/20 | 0.56 |
| ▸ | GAA | P10253 | 1/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.52 |
| ▸ | MEN1 | O00255 | 3/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.51 |
| ▸ | MMP1 | P03956 | 1/20 | 0.50 |
| ▸ | MMP9 | P14780 | 1/20 | 0.50 |
| ▸ | MMP13 | P45452 | 1/20 | 0.50 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.50 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL12625929 | 0.83 | SIGMAR1 (0.59) | SIGMAR1KDM4EALDH1A1HTR1ADRD2 | |
| SCHEMBL20804357 | 0.82 | SIGMAR1 (0.90) | SIGMAR1KDM4EALDH1A1HTR1ADRD2 | |
| SCHEMBL28186295 | 0.82 | SIGMAR1 (0.90) | SIGMAR1KDM4EALDH1A1HTR1ADRD2 | |
| SCHEMBL13791587 | 0.81 | SIGMAR1 (0.72) | SIGMAR1KDM4EALDH1A1HTR1ADRD2 | |
| SCHEMBL12625928 | 0.81 | SIGMAR1 (0.56) | SIGMAR1KDM4EALDH1A1HTR1ADRD2 | |
| SCHEMBL3162705 | 0.79 | SIGMAR1 (0.79) | SIGMAR1KDM4EALDH1A1HTR1ADRD2 | |
| SCHEMBL30774908 | 0.79 | SIGMAR1 (0.79) | SIGMAR1KDM4EALDH1A1HTR1ADRD2 | |
| SCHEMBL9572753 | 0.79 | ALDH1A1 (0.60) | SIGMAR1KDM4EALDH1A1GAASMN1; SMN2 | |
| SCHEMBL1883482 | 0.78 | SIGMAR1 (0.77) | SIGMAR1KDM4EALDH1A1GAASMN1; SMN2 | |
| SCHEMBL29447356 | 0.78 | SIGMAR1 (0.77) | SIGMAR1KDM4EALDH1A1GAASMN1; SMN2 |
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-9045468-B2 | 2,5-methano- and 2,5-ethano-tetrahydrobenzazepine derivatives and use thereof to block reuptake of norepinephrine, dopamine, and serotonin | ALBANY MOLECULAR RESEARCH, INC. (US) | 2015-06-02 | — | — | US | disclosed |
| EP-2606049-A2 | 2,5-METHANO-AND 2,5-ETHANO-TETRAHYDROBENZAZEPINE DERIVATIVES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN | Albany Molecular Research, Inc. (US) | 2013-06-26 | — | — | EP | disclosed |
| US-20120046271-A1 | 2,5-Methano- and 2,5-Ethano-Tetrahydrobenzazepine Derivatives And Use Thereof To Block Reuptake Of Norepinephrine, Dopamine, and Serotonin | BRISTOL-MYERS SQUIBB COMPANY (US) | 2012-02-23 | — | — | US | disclosed |
| WO-2012024397-A2 | 2,5-METHANO-AND 2,5-ETHANO-TETRAHYDROBENZAZEPINE DERIVATIVES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN | ALBANY MOLECULAR RESEARCH, INC. (US) | 2012-02-23 | — | — | 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-20120046271-A1 | 2,5-Methano- and 2,5-Ethano-Tetrahydrobenzazepine Derivatives And Use Thereof To Block Reuptake Of Norepinephrine, Dopamine, and Serotonin | HTR2B, HTR1B, HTR5A | SIGMAR1 97/4885KDM4E 1605/4885ALDH1A1 970/4885 |
“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.