Known targets — ChEMBL curated mechanism
ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
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 | |
|---|---|---|---|---|
| ▸ | TLR9 known ✓ | Q9NR96 | 1/20 | 0.41 |
| ▸ | DGAT1 | O75907 | 3/20 | 0.47 |
| ▸ | NPC1 | O15118 | 3/20 | 0.47 |
| ▸ | RAB9A | P51151 | 3/20 | 0.47 |
| ▸ | ATR | Q13535 | 2/20 | 0.44 |
| ▸ | BTK | Q06187 | 4/20 | 0.43 |
| ▸ | MAPT | P10636 | 6/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 2/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL6326588 | 0.93 | DGAT1 (0.49) | DGAT1NPC1RAB9AATRBTK | |
| SCHEMBL5727205 | 0.89 | DGAT1 (0.46) | DGAT1NPC1RAB9AATRBTK | |
| Trifluoroacetic Acid SCHEMBL6327439 | 0.85 | NPC1 (0.46) | DGAT1NPC1RAB9AATRBTK | |
| Trifluoroacetic Acid SCHEMBL6328364 | 0.84 | DGAT1 (0.44) | DGAT1NPC1RAB9AATRBTK | |
| SCHEMBL5727613 | 0.84 | MAPT (0.43) | DGAT1NPC1RAB9AMAPTALDH1A1 | |
| Trifluoroacetic Acid SCHEMBL6332856 | 0.83 | DGAT1 (0.43) | DGAT1NPC1RAB9ABTKMAPT | |
| Trifluoroacetic Acid SCHEMBL6326606 | 0.82 | DGAT1 (0.51) | DGAT1NPC1RAB9AATRBTK | |
| SCHEMBL6327445 | 0.82 | MAPT (0.44) | DGAT1NPC1RAB9ABTKMAPT | |
| SCHEMBL6328366 | 0.81 | MAPT (0.41) | DGAT1NPC1RAB9AMAPTALDH1A1 | |
| Trifluoroacetic Acid SCHEMBL6337264 | 0.81 | DGAT1 (0.51) | DGAT1NPC1RAB9AATRBTK |
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 |
|---|---|---|---|---|---|---|---|
| EP-1435951-B1 | PHENYL SUBSTITUTED 5-MEMBERED NITROGEN CONTAINING HETEROCYCLES FOR THE TRETMENT OF OBESITY | BAYER PHARMACEUTICALS CORP (US) | 2006-01-18 | — | — | EP | disclosed |
| US-20050014805-A1 | Phenyl substituted 5-membered nitrogen containing heterocycles for the treatment of obesity | BAYER PHARMACEUTICALS CORPORATION | 2005-01-20 | — | — | US | disclosed |
| EP-1435951-A1 | PHENYL SUBSTITUTED 5-MEMBERED NITROGEN CONTAINING HETEROCYCLES FOR THE TRETMENT OF OBESITY | Bayer Pharmaceuticals Corporation (US) | 2004-07-14 | — | — | EP | disclosed |
| WO-2003037332-A1 | PHENYL SUBSTITUTED 5-MEMBERED NITROGEN CONTAINING HETEROCYCLES FOR THE TREATMENT OF OBESITY | BAYER PHARMACEUTICALS CORPORATION (US) | 2003-05-08 | — | — | 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-20050014805-A1 | Phenyl substituted 5-membered nitrogen containing heterocycles for the treatment of obesity | GPR119, EGLN3, PC | TLR9 1370/4885DGAT1 386/4885NPC1 315/4885 |
“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.