Known targets — ChEMBL curated mechanism
ABL1BMXBRAFBTKCHRNA4CHRNB2CSNK1EEGFRERBB2F10FLT1FLT3FLT4IGF1RINSRITKJAK3KDRKITOPRM1PARP1PARP2PDGFRBPIK3CDRAF1RETSLC18A2TECTXKdacAdacBdacCftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 3/20 | 0.45 |
| ▸ | HTR6 | P50406 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA3 | P07451 | 1/20 | 0.38 |
| ▸ | CA6 | P23280 | 1/20 | 0.38 |
| ▸ | CA5A | P35218 | 1/20 | 0.38 |
| ▸ | CA7 | P43166 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 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 | |
|---|---|---|---|---|
| SCHEMBL3575660 | 1.00 | CYP2D6 (0.45) | CYP2D6HTR6ALDH1A1KDM4ELMNA | |
| SCHEMBL3587076 | 0.83 | CYP2D6 (0.46) | CYP2D6HTR6ALDH1A1KDM4ELMNA | |
| SCHEMBL3587503 | 0.83 | CYP2D6 (0.46) | CYP2D6HTR6ALDH1A1KDM4ELMNA | |
| SCHEMBL3582264 | 0.81 | CYP2D6 (0.42) | CYP2D6HTR6ALDH1A1KDM4ELMNA | |
| SCHEMBL3582891 | 0.81 | CYP2D6 (0.42) | CYP2D6HTR6ALDH1A1KDM4ELMNA | |
| Aziridine SCHEMBL5185484 | 0.80 | ALDH1A1 (0.50) | CYP2D6ALDH1A1KDM4ELMNAMAPT | |
| SCHEMBL3583353 | 0.79 | CYP2D6 (0.49) | CYP2D6HTR6ALDH1A1KDM4ELMNA | |
| SCHEMBL3580148 | 0.79 | CYP2D6 (0.49) | CYP2D6HTR6ALDH1A1KDM4ELMNA | |
| SCHEMBL2942079 | 0.79 | CYP2D6 (0.43) | CYP2D6HTR6ALDH1A1KDM4ELMNA | |
| SCHEMBL7461623 | 0.78 | CYP2D6 (0.45) | CYP2D6ALDH1A1KDM4ELMNAMAPT |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1989115-B | Oxazole derivatives as histamine H3 receptor drugs and preparation and pharmaceutical use thereof | LILLY CO ELI | 2012-03-21 | — | — | CN | disclosed |
| US-7666871-B2 | 3-Methyl-6-(4-{5-methyl-4-[2-(2-methyl-pyrrolidin-1-yl)-ethyl]-oxazol-2-yl}-phenyl)-pyridazine; for treatment of obesity, cognitive deficiencies, narcolepsy | ELI LILLY AND COMPANY (US) | 2010-02-23 | — | — | US | disclosed |
| EP-1786790-B1 | OXAZOLE DERIVATIVES AS HISTAMINE H3 RECEPTOR AGENTS, PREPARATION AND THERAPEUTIC USES | LILLY CO ELI (US) | 2009-06-03 | — | — | EP | disclosed |
| US-20070197604-A1 | Oxazole derivatives as histamine h3 receptor agents,preparation and therapeutic uses | ELI LILLY AND COMPANY | 2007-08-23 | — | — | US | disclosed |
| CN-1989115-A | * azole derivatives as histamine H3 receptor agents, their preparation and therapeutic use | LILLY CO ELI (US) | 2007-06-27 | — | — | CN | 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-20070197604-A1 | Oxazole derivatives as histamine h3 receptor agents,preparation and therapeutic uses | HCRTR1, HRH3, HCRTR2 | CYP2D6 1278/4885HTR6 135/4885ALDH1A1 1633/4885 |
“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.