Known targets — ChEMBL curated mechanism
ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol
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 | |
|---|---|---|---|---|
| ▸ | ROCK1 known ✓ | Q13464 | 2/20 | 0.50 |
| ▸ | GRIN2D known ✓ | O15399 | 1/20 | 0.50 |
| ▸ | GRIN3B known ✓ | O60391 | 1/20 | 0.50 |
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.50 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.50 |
| ▸ | GRIN1 known ✓ | Q05586 | 1/20 | 0.50 |
| ▸ | GRIN2A known ✓ | Q12879 | 1/20 | 0.50 |
| ▸ | GRIN2B known ✓ | Q13224 | 1/20 | 0.50 |
| ▸ | GRIN2C known ✓ | Q14957 | 1/20 | 0.50 |
| ▸ | GRIN3A known ✓ | Q8TCU5 | 1/20 | 0.50 |
| ▸ | OPRM1 | P35372 | 12/20 | 0.75 |
| ▸ | OPRD1 | P41143 | 11/20 | 0.75 |
| ▸ | OPRK1 | P41145 | 8/20 | 0.75 |
| ▸ | CA1 | P00915 | 2/20 | 0.54 |
| ▸ | CA2 | P00918 | 2/20 | 0.54 |
| ▸ | CA12 | O43570 | 1/20 | 0.54 |
| ▸ | CA4 | P22748 | 1/20 | 0.54 |
| ▸ | CA9 | Q16790 | 1/20 | 0.54 |
| ▸ | MEN1 | O00255 | 2/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL13773067 | 0.96 | OPRM1 (0.81) | OPRM1OPRD1OPRK1CA1CA2 | |
| SCHEMBL3771658 | 0.86 | OPRM1 (1.00) | OPRM1OPRD1OPRK1MEN1KMT2A | |
| SCHEMBL13285777 | 0.85 | OPRM1 (0.64) | OPRM1OPRD1OPRK1CA1CA2 | |
| SCHEMBL3695244 | 0.85 | OPRM1 (0.81) | OPRM1OPRD1OPRK1CA1CA2 | |
| SCHEMBL3691948 | 0.84 | OPRM1 (0.70) | OPRM1OPRD1OPRK1MEN1KMT2A | |
| SCHEMBL3701879 | 0.84 | OPRM1 (0.64) | OPRM1OPRD1OPRK1ROCK1GRIN2D | |
| SCHEMBL3696594 | 0.84 | OPRM1 (0.70) | OPRM1OPRD1OPRK1CA1CA2 | |
| SCHEMBL3696803 | 0.83 | OPRM1 (0.66) | OPRM1OPRD1OPRK1CA1CA2 | |
| SCHEMBL3698967 | 0.82 | OPRM1 (0.67) | OPRM1OPRD1OPRK1MEN1KMT2A | |
| SCHEMBL3697617 | 0.81 | OPRM1 (0.59) | OPRM1OPRD1OPRK1ROCK1GRIN2D |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20060217372-A1 | Diaryl ethers as opioid receptor antagonist | ELI LILLY AND COMPANY | 2006-09-28 | — | — | US | claimed |
| EP-2208727-A1 | Diaryl ethers as opioid receptor antagonist | Eli Lilly & Company (US) | 2010-07-21 | — | — | EP | disclosed |
| US-7560463-B2 | Diaryl ethers as opioid receptor antagonists | ELI LILLY AND COMPANY (US) | 2009-07-14 | — | — | US | disclosed |
| US-7531557-B2 | Diaryl ethers as opioid receptor antagonists | ELI LILLY AND COMPANY (US) | 2009-05-12 | — | — | US | disclosed |
| US-20080269296-A1 | DIARYL ETHERS AS OPIOID RECEPTOR ANTAGONISTS | BLANCO-PILLADO MARIA-JESUS | 2008-10-30 | — | — | US | disclosed |
| US-20080255152-A1 | DIARYL ETHERS AS OPIOID RECEPTOR ANTAGONISTS | ELI LILLY AND COMPANY | 2008-10-16 | — | — | US | disclosed |
| US-7381719-B2 | Diaryl ethers as opioid receptor antagonist | ELI LILLY AND COMPANY (US) | 2008-06-03 | — | — | US | disclosed |
| US-20060217372-A1 | Diaryl ethers as opioid receptor antagonist | ELI LILLY AND COMPANY | 2006-09-28 | — | — | US | disclosed |
| EP-1562595-A1 | DIARYL ETHERS AS OPIOID RECEPTOR ANTAGONISTS | ELI LILLY AND COMPANY (US) | 2005-08-17 | — | — | EP | disclosed |
| WO-2004026305-A9 | DIARYL ETHERS AS OPIOID RECEPTOR ANTAGONIST | LILLY CO ELI (US) | 2004-05-13 | — | — | WO | disclosed |
| WO-2004026305-A1 | DIARYL ETHERS AS OPIOID RECEPTOR ANTAGONIST | ELI LILLY AND COMPANY (US) | 2004-04-01 | — | — | 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 (3 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-20080269296-A1 | DIARYL ETHERS AS OPIOID RECEPTOR ANTAGONISTS | OPRM1, OPRD1, OPRL1 | ROCK1 2100/4885GRIN2D 389/4885GRIN3B 252/4885 |
| US-20080255152-A1 | DIARYL ETHERS AS OPIOID RECEPTOR ANTAGONISTS | OPRM1, OPRD1, OPRL1 | ROCK1 2083/4885GRIN2D 398/4885GRIN3B 251/4885 |
| US-20060217372-A1 | Diaryl ethers as opioid receptor antagonist | OPRM1, OPRL1, OPRD1 | ROCK1 2182/4885GRIN2D 383/4885GRIN3B 268/4885 |
“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.