Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.46 |
| ▸ | BACE1 | P56817 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | BRD4 | O60885 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | CACNA1G | O43497 | 3/20 | 0.39 |
| ▸ | CACNA1H | O95180 | 3/20 | 0.39 |
| ▸ | CACNA1I | Q9P0X4 | 3/20 | 0.39 |
| ▸ | FKBP1A | P62942 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | EHMT2 | Q96KQ7 | 1/20 | 0.38 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL12391218 | 0.86 | BRD4 (0.46) | ALDH1A1TDP1KMT2ABRD4MEN1 | |
| SCHEMBL2265298 | 0.85 | ALDH1A1 (0.50) | ALDH1A1TDP1BACE1KMT2ASMN1; SMN2 | |
| SCHEMBL2340845 | 0.81 | FKBP1A (0.47) | ALDH1A1TDP1BACE1KMT2ASMN1; SMN2 | |
| SCHEMBL7919715 | 0.81 | ALDH1A1 (0.49) | ALDH1A1TDP1BACE1KMT2ASMN1; SMN2 | |
| SCHEMBL13262070 | 0.75 | MEN1 (0.45) | KMT2ABRD4MEN1CACNA1GCACNA1H | |
| SCHEMBL17685998 | 0.74 | ALDH1A1 (0.47) | ALDH1A1TDP1BACE1KMT2ASMN1; SMN2 | |
| SCHEMBL3337871 | 0.73 | P2RX7 (0.57) | ALDH1A1TDP1BACE1KMT2ASMN1; SMN2 | |
| SCHEMBL10270030 | 0.73 | P2RX7 (0.57) | ALDH1A1TDP1BACE1KMT2ASMN1; SMN2 | |
| SCHEMBL3601108 | 0.73 | PTGDR2 (0.49) | ALDH1A1KMT2ASMN1; SMN2BRD4MEN1 | |
| SCHEMBL17042148 | 0.72 | MEN1 (0.51) | ALDH1A1KMT2ABRD4MEN1NPSR1 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8623863-B2 | Disubstituted azepan orexin receptor antagonists | MERCK SHARP & DOHME CORP. (US) | 2014-01-07 | — | — | US | disclosed |
| US-8623863-B2 | Disubstituted azepan orexin receptor antagonists | MERCK SHARP & DOHME CORP. (US) | 2014-01-07 | — | — | US | disclosed |
| EP-2348846-B1 | DISUBSTITUTED AZEPAN OREXIN RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME (US) | 2013-08-28 | — | — | EP | disclosed |
| EP-2348846-B1 | DISUBSTITUTED AZEPAN OREXIN RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME (US) | 2013-08-28 | — | — | EP | disclosed |
| US-20110207715-A1 | Disubstituted Azepan Orexin Receptor Antagonists | MERCK SHARP & DOHME LLC | 2011-08-25 | — | — | US | disclosed |
| US-20110207715-A1 | Disubstituted Azepan Orexin Receptor Antagonists | MERCK SHARP & DOHME LLC | 2011-08-25 | — | — | US | disclosed |
| EP-2348846-A1 | DISUBSTITUTED AZEPAN OREXIN RECEPTOR ANTAGONISTS | Merck Sharp & Dohme Corp. (US) | 2011-08-03 | — | — | EP | disclosed |
| WO-2010048017-A1 | DISUBSTITUTED AZEPAN OREXIN RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME CORP. (US) | 2010-04-29 | — | — | WO | disclosed |
| WO-2010048017-A1 | DISUBSTITUTED AZEPAN OREXIN RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME CORP. (US) | 2010-04-29 | — | — | 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-20110207715-A1 | Disubstituted Azepan Orexin Receptor Antagonists | HCRTR2, HCRTR1, OXTR | ALDH1A1 3019/4885TDP1 4754/4885BACE1 430/4885 |
“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.