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 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 known ✓ | Q92731 | 3/20 | 0.41 |
| ▸ | ESR1 | P03372 | 4/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | LTA4H | P09960 | 5/20 | 0.40 |
| ▸ | BLM | P54132 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | ELANE | P08246 | 2/20 | 0.37 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.37 |
| ▸ | BAX | Q07812 | 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 | |
|---|---|---|---|---|
| SCHEMBL5830639 | 0.97 | ESR1 (0.46) | ESR1ESR2MEN1KMT2ALTA4H | |
| SCHEMBL5830105 | 0.87 | ESR1 (0.55) | ESR1ESR2MEN1KMT2ABLM | |
| SCHEMBL28311358 | 0.83 | ESR1 (0.50) | ESR1ESR2MEN1KMT2ABLM | |
| SCHEMBL5831320 | 0.79 | ALDH1A1 (0.41) | KMT2AALDH1A1L3MBTL1KDM4E | |
| SCHEMBL12802351 | 0.78 | ALDH1A1 (0.55) | MEN1KMT2ALTA4HALDH1A1L3MBTL1 | |
| Phenol SCHEMBL28311359 | 0.76 | FNTA (0.42) | ESR1ESR2BLMALDH1A1 | |
| SCHEMBL8491271 | 0.76 | MAPT (0.49) | ESR1ALDH1A1L3MBTL1ELANE | |
| SCHEMBL8491267 | 0.73 | ALDH1A1 (0.42) | MEN1KMT2AALDH1A1L3MBTL1ELANE | |
| SCHEMBL14763892 | 0.73 | NPC1 (0.47) | ALDH1A1L3MBTL1KDM4E | |
| SCHEMBL5830710 | 0.73 | ESR1 (0.53) | ESR1ESR2MEN1KMT2ALTA4H |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7041684-B2 | Selective β3 adrenergic agonists | ELI LILLY AND COMPANY (US) | 2006-05-09 | — | — | US | disclosed |
| US-20050043337-A1 | Selective beta3 adrenergic agonists | RITO CHRISTOPHER J (US) | 2005-02-24 | — | — | US | disclosed |
| US-6686372-B2 | ANTIDIABETIC AGENTS; DIETETICS | ELI LILLY AND COMPANY | 2004-02-03 | — | — | US | disclosed |
| US-20020165234-A1 | Selective B3 adrenergic agonists | CROWELL THOMAS A (US) | 2002-11-07 | — | — | US | disclosed |
| US-6413991-B1 | ANTIDIABETIC AGENTS; DIETETICS | ELI LILLY AND COMPANY | 2002-07-02 | — | — | US | disclosed |
| EP-0827746-B1 | Carbazole analogues as selective beta3 adrenergic agonists | LILLY CO ELI (US) | 2002-04-03 | — | — | EP | disclosed |
| US-6140352-A | FOR AGONIZING THE BETA 3 ADRENERGIC RECEPTOR TO TREAT TYPE II DIABETES AND OBESITY | ELI LILLY AND COMPANY (US) | 2000-10-31 | — | — | US | disclosed |
| WO-1998009625-A1 | SELECTIVE β3 ADRENERGIC AGONISTS | ELI LILLY AND COMPANY (US) | 1998-03-12 | — | — | WO | disclosed |
| EP-0827746-A1 | Carbazole analogues as selective B3 adrenergic agonists | ELI LILLY AND COMPANY (US) | 1998-03-11 | — | — | EP | 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-20050043337-A1 | Selective beta3 adrenergic agonists | ADRB3, ADRB2, ADRB1 | ESR2 295/4885ESR1 1292/4885MEN1 4015/4885 |
| US-20020165234-A1 | Selective B3 adrenergic agonists | ADRB3, ADRB2, ADRB1 | ESR2 432/4885ESR1 932/4885MEN1 3594/4885 |
“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.