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 | 4/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | MAPT | P10636 | 3/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.34 |
| ▸ | S100A4 | P26447 | 1/20 | 0.34 |
| ▸ | MTOR | P42345 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.34 |
| ▸ | RELA | Q04206 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL6755213 | 0.85 | CYP2D6 (0.38) | CYP2D6ALDH1A1MAPTTDP1L3MBTL1 | |
| SCHEMBL1154680 | 0.85 | CYP2D6 (0.38) | CYP2D6ALDH1A1MAPTTDP1L3MBTL1 | |
| SCHEMBL21802746 | 0.80 | CYP2D6 (0.42) | CYP2D6ALDH1A1MAPTTDP1L3MBTL1 | |
| SCHEMBL30684957 | 0.79 | CYP2D6 (0.34) | CYP2D6ALDH1A1MAPTTDP1L3MBTL1 | |
| SCHEMBL5217383 | 0.77 | CYP2D6 (0.42) | CYP2D6ALDH1A1MAPTTDP1L3MBTL1 | |
| SCHEMBL20446605 | 0.77 | CA1 (0.42) | CYP2D6ALDH1A1MAPTTDP1L3MBTL1 | |
| SCHEMBL15129787 | 0.77 | CYP2D6 (0.42) | CYP2D6ALDH1A1MAPTTDP1L3MBTL1 | |
| SCHEMBL30002830 | 0.77 | CYP2D6 (0.42) | CYP2D6ALDH1A1MAPTTDP1L3MBTL1 | |
| SCHEMBL5740867 | 0.76 | CYP2D6 (0.48) | CYP2D6ALDH1A1MAPTTDP1L3MBTL1 | |
| SCHEMBL16667003 | 0.76 | CYP2D6 (0.39) | CYP2D6ALDH1A1MAPTTDP1L3MBTL1 |
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 |
|---|---|---|---|---|---|---|---|
| US-20110118305-A1 | COMPOUNDS | SANOFI-AVENTIS (FR) | 2011-05-19 | — | — | US | disclosed |
| EP-1517907-B1 | AZABICYCLO-OCTANE AND NONANE DERIVATIVES WITH DDP-IV INHIBITING ACTIVITY | SANOFI AVENTIS (FR) | 2011-01-12 | — | — | EP | disclosed |
| US-7781455-B2 | Compounds | SANOFI-AVENTIS (FR) | 2010-08-24 | — | — | US | disclosed |
| US-20050153973-A1 | (4R)-3-(2-{[8-(2-Pyrimidinyl)-8-azabicyclo[3.2.1]oct-3-yl]exo-amino}acetyl)thiazolidine-4-carbonitrile; enzyme inhibitors; diabetes | SANOFI-AVENTIS (FR) | 2005-07-14 | — | — | US | disclosed |
| EP-1517907-A2 | AZABICYCLO-OCTANE AND NONANE DERIVATIVES WITH DDP-IV INHIBITING ACTIVITY | Sanofi-Aventis (FR) | 2005-03-30 | — | — | EP | disclosed |
| WO-2003106456-A2 | NEW COMPOUNDS | SANOFI-SYNTHELABO (FR) | 2003-12-24 | — | — | 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 (2 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-20050153973-A1 | (4R)-3-(2-{[8-(2-Pyrimidinyl)-8-azabicyclo[3.2.1]oct-3-yl]exo-amino}acetyl)thiazolidine-4-carbonitrile; enzyme inhibitors; diabetes | DPP4, DPP8, DPP3 | CYP2D6 976/4885ALDH1A1 558/4885MAPT 3740/4885 |
| US-20110118305-A1 | COMPOUNDS | DPP4, DPP3, DPP8 | CYP2D6 346/4885ALDH1A1 599/4885MAPT 2950/4885 |
“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.