Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 3/20 | 0.40 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.39 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | HTR2C | P28335 | 2/20 | 0.36 |
| ▸ | HTR2B | P41595 | 1/20 | 0.36 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.35 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | CASP1 | P29466 | 1/20 | 0.35 |
| ▸ | RECQL | P46063 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL3868321 | 0.77 | CHRM2 (0.50) | HTR2AAOC3CYP3A4TAAR1TSHR | |
| SCHEMBL5779838 | 0.76 | CHIA (0.50) | HTR2AAOC3CYP3A4TAAR1TSHR | |
| SCHEMBL3787093 | 0.73 | CYP3A4 (0.48) | CYP3A4TAAR1TSHRHTR2CACHE | |
| SCHEMBL6676181 | 0.73 | TAAR1 (0.56) | CYP3A4TAAR1TSHREPHX2NR1H4 | |
| SCHEMBL1299722 | 0.73 | CYP3A4 (0.52) | CYP3A4TAAR1TSHREPHX2NR1H4 | |
| SCHEMBL23882976 | 0.72 | KDM4E (0.40) | HTR2AAOC3CYP3A4TAAR1TSHR | |
| SCHEMBL30001237 | 0.72 | KDM4E (0.40) | HTR2AAOC3CYP3A4TAAR1TSHR | |
| SCHEMBL3197622 | 0.72 | SLC6A4 (0.54) | HTR2ACYP3A4TSHREPHX2NR1H4 | |
| SCHEMBL20869634 | 0.71 | SIGMAR1 (0.34) | HTR2ACYP3A4HTR2CHTR2BACHE | |
| SCHEMBL4009082 | 0.71 | KCNH2 (0.48) | CYP3A4TSHRHTR2CACHESLC6A4 |
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-7605176-B2 | β-ketoamide compounds with MCH antagonistic activity | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2009-10-20 | — | — | US | disclosed |
| EP-1730130-A1 | BETA-KETOAMIDE COMPOUNDS HAVING AN MCH-ANTAGONISTIC EFFECT AND MEDICAMENTS CONTAINING SAID COMPOUNDS | Boehringer Ingelheim International GmbH (DE) | 2006-12-13 | — | — | EP | disclosed |
| US-20050245500-A1 | Beta-ketoamide compounds with MCH antagonistic activity | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2005-11-03 | — | — | US | disclosed |
| WO-2005085221-A1 | BETA-KETOAMIDE COMPOUNDS HAVING AN MCH-ANTAGONISTIC EFFECT AND MEDICAMENTS CONTAINING SAID COMPOUNDS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2005-09-15 | — | — | 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-20050245500-A1 | Beta-ketoamide compounds with MCH antagonistic activity | MCHR2, MCHR1, NPY1R | HTR2A 225/4885AOC3 3372/4885CYP3A4 3281/4885 |
“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.