Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 2/20 | 0.50 |
| ▸ | CNR2 | P34972 | 10/20 | 0.42 |
| ▸ | KDM1A | O60341 | 5/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.42 |
| ▸ | MAOB | P27338 | 2/20 | 0.42 |
| ▸ | RCOR1 | Q9UKL0 | 2/20 | 0.42 |
| ▸ | KDM1B | Q8NB78 | 1/20 | 0.42 |
| ▸ | HTR2C | P28335 | 1/20 | 0.37 |
| ▸ | HTR2B | P41595 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL3497441 | 1.00 | ESR2 (0.50) | ESR2CNR2KDM1AKCNH2MAOB | |
| SCHEMBL3496853 | 1.00 | ESR2 (0.50) | ESR2CNR2KDM1AKCNH2MAOB | |
| SCHEMBL3497539 | 1.00 | ESR2 (0.50) | ESR2CNR2KDM1AKCNH2MAOB | |
| SCHEMBL5227466 | 0.88 | CNR2 (0.55) | ESR2CNR2KDM1AKCNH2MAOB | |
| SCHEMBL7151959 | 0.87 | ESR2 (0.65) | ESR2KDM1AKCNH2MAOBRCOR1 | |
| SCHEMBL16669646 | 0.87 | ESR2 (0.65) | ESR2KDM1AKCNH2MAOBRCOR1 | |
| SCHEMBL7151961 | 0.87 | ESR2 (0.65) | ESR2KDM1AKCNH2MAOBRCOR1 | |
| SCHEMBL2015709 | 0.85 | KDM1A (0.46) | ESR2KDM1AKCNH2MAOBRCOR1 | |
| SCHEMBL1003121 | 0.85 | KDM1A (0.46) | ESR2KDM1AKCNH2MAOBRCOR1 | |
| SCHEMBL1003122 | 0.85 | KDM1A (0.46) | ESR2KDM1AKCNH2MAOBRCOR1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101043887-A | 2-(aryl)azacyclylmethyl carboxylates, sulfonates, phosphonates, phosphinates and heterocycles as s1p receptor agonists | MERCK & CO INC (US) | 2007-09-26 | — | — | CN | disclosed |
| EP-1804793-A2 | 2-(ARYL)AZACYCLYLMETHYL CARBOXYLATES, SULFONATES, PHOSPHONATES, PHOSPHINATES AND HETEROCYCLES AS S1P RECEPTOR AGONISTS | Merck & Co., Inc. (US) | 2007-07-11 | — | — | EP | disclosed |
| EP-1737824-A2 | NOVEL ALKYNE COMPOUNDS HAVING AN MCH-ANTAGONISTIC EFFECT, AND MEDICAMENTS CONTAINING SAID COMPOUNDS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2007-01-03 | — | — | EP | disclosed |
| WO-2006047195-A2 | 2-(ARYL)AZACYCLYLMETHYL CARBOXYLATES, SULFONATES, PHOSPHONATES, PHOSPHINATES AND HETEROCYCLES AS S1P RECEPTOR AGONISTS | MERCK & CO., INC. (US) | 2006-05-04 | — | — | WO | disclosed |
| US-20050245529-A1 | Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2005-11-03 | — | — | US | disclosed |
| WO-2005103032-A2 | NOVEL ALKYNE COMPOUNDS HAVING AN MCH-ANTAGONISTIC EFFECT, AND MEDICAMENTS CONTAINING SAID COMPOUNDS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2005-11-03 | — | — | 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-20050245529-A1 | Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds | MCHR1, GPR119, MCHR2 | ESR2 388/4885CNR2 102/4885KDM1A 1233/4885 |
“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.