Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.62 |
| ▸ | HTR1D | P28221 | 1/20 | 0.55 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.52 |
| ▸ | CCR3 | P51677 | 1/20 | 0.49 |
| ▸ | OPRL1 | P41146 | 2/20 | 0.48 |
| ▸ | CCR8 | P51685 | 1/20 | 0.48 |
| ▸ | DRD2 | P14416 | 1/20 | 0.48 |
| ▸ | DRD3 | P35462 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | CNR1 | P21554 | 1/20 | 0.47 |
| ▸ | CNR2 | P34972 | 1/20 | 0.47 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.47 |
| ▸ | MMP1 | P03956 | 1/20 | 0.47 |
| ▸ | MMP9 | P14780 | 1/20 | 0.47 |
| ▸ | MMP13 | P45452 | 1/20 | 0.47 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL668403 | 0.90 | ALDH1A1 (0.62) | ALDH1A1HTR1DSIGMAR1KDM4ECCR3 | |
| SCHEMBL666461 | 0.90 | ALDH1A1 (0.62) | ALDH1A1HTR1DSIGMAR1KDM4ECCR3 | |
| SCHEMBL667793 | 0.88 | ALDH1A1 (0.61) | ALDH1A1HTR1DSIGMAR1KDM4ECCR3 | |
| SCHEMBL667229 | 0.86 | CCR3 (0.68) | ALDH1A1HTR1DSIGMAR1KDM4ECCR3 | |
| SCHEMBL666457 | 0.85 | ALDH1A1 (0.70) | ALDH1A1HTR1DSIGMAR1KDM4ECCR3 | |
| SCHEMBL667773 | 0.84 | ALDH1A1 (0.65) | ALDH1A1HTR1DSIGMAR1KDM4ECCR3 | |
| SCHEMBL666867 | 0.83 | OPRL1 (0.61) | ALDH1A1HTR1DSIGMAR1KDM4ECCR3 | |
| SCHEMBL3903967 | 0.83 | CCR3 (0.70) | HTR1DKDM4ECCR3OPRL1KMT2A | |
| SCHEMBL4816046 | 0.82 | ALDH1A1 (0.80) | ALDH1A1SIGMAR1KDM4ECCR3OPRL1 | |
| Hydrochloric Acid SCHEMBL6288091 | 0.81 | ALDH1A1 (0.78) | ALDH1A1SIGMAR1KDM4ECCR3OPRL1 |
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 | ALDH1A1 970/4885HTR1D 17/4885SIGMAR1 97/4885 |
“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.