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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRK1 | P41145 | 5/20 | 0.68 |
| ▸ | OPRD1 | P41143 | 11/20 | 0.64 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.59 |
| ▸ | TP53 | P04637 | 1/20 | 0.59 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.59 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.59 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.59 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.59 |
| ▸ | TSHR | P16473 | 1/20 | 0.59 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.59 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.59 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.59 |
| ▸ | UTS2R | Q9UKP6 | 1/20 | 0.59 |
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 | |
|---|---|---|---|---|
| SCHEMBL6478796 | 0.90 | OPRK1 (0.73) | OPRK1OPRD1OPRM1ALDH1A1TP53 | |
| SCHEMBL21468948 | 0.90 | OPRD1 (0.78) | OPRK1OPRD1OPRM1ALDH1A1TP53 | |
| SCHEMBL16379669 | 0.90 | OPRD1 (0.78) | OPRK1OPRD1OPRM1ALDH1A1TP53 | |
| Hydrochloric Acid SCHEMBL6477959 | 0.89 | OPRD1 (0.79) | OPRK1OPRD1OPRM1ALDH1A1TP53 | |
| Hydrochloric Acid SCHEMBL6477965 | 0.89 | OPRD1 (0.79) | OPRK1OPRD1OPRM1ALDH1A1TP53 | |
| Hydrochloric Acid SCHEMBL6526583 | 0.85 | OPRD1 (0.78) | OPRK1OPRD1OPRM1ALDH1A1TP53 | |
| SCHEMBL6480856 | 0.84 | OPRK1 (0.78) | OPRK1OPRD1OPRM1CYP3A4CYP2D6 | |
| SCHEMBL6486775 | 0.83 | OPRK1 (0.51) | OPRK1OPRD1OPRM1CYP2D6 | |
| SCHEMBL5629670 | 0.81 | OPRD1 (0.74) | OPRK1OPRD1OPRM1ALDH1A1TP53 | |
| SCHEMBL19739359 | 0.81 | OPRD1 (0.71) | OPRK1OPRD1OPRM1ALDH1A1TP53 |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20050020576-A1 | Kappa agonist compounds and pharmaceutical formulations thereof | ADOLOR CORPORATION | 2005-01-27 | — | — | US | claimed |
| US-20020103164-A1 | Kappa agonist compounds, pharmaceutical formulations and method of prevention and treatment of pruritus therewith | ADOLOR CORPORATION | 2002-08-01 | — | — | US | claimed |
| US-20020013296-A1 | Kappa agonist compounds, pharmaceutical formulations and method of prevention and treatment of pruritus therewith | ADOLOR CORPORATION | 2002-01-31 | — | — | US | claimed |
| US-6239154-B1 | ARYLACETAMIDES, AGONISTS AT KAPPA OPIOID RECEPTORS. | ADOLOR CORPORATION | 2001-05-29 | — | — | US | claimed |
| US-20050020576-A1 | Kappa agonist compounds and pharmaceutical formulations thereof | ADOLOR CORPORATION | 2005-01-27 | — | — | US | disclosed |
| US-20030144272-A1 | Kappa agonist compounds and pharmaceutical formulations thereof | ADOLOR CORPORATION | 2003-07-31 | — | — | US | disclosed |
| US-6492351-B1 | Kappa agonist compounds, pharmaceutical formulations and method of prevention and treatment of pruritus therewith | ADOLOR CORPORATION | 2002-12-10 | — | — | US | disclosed |
| US-6486165-B2 | TREATING WITH AGONISTS AT KAPPA OPIOID RECEPTORS SUCH AS METHYL-4-(2-GLYCYL-4-(TRIFLUOROMETHYLPHENYL)ACETYL)-3-(R,S)-((1 -PYRROLIDINYL)-METHYL)-1-PIPERAZINECARBOXYLATE | ADOLOR CORPORATION | 2002-11-26 | — | — | US | disclosed |
| US-6476063-B2 | DEVOID OF CENTRAL NERVOUS SYSTEM EFFECTS; TOPICAL AND SYSTEMIC ADMINISTRATION; ANTIPRURITIC AGEENTS; ANALGESICS 1-ARYLMETHYLCARBONYL-2-PYRROLIDIN-1-YL-PIPERAZINES | ADOLOR CORPORATION | 2002-11-05 | — | — | US | disclosed |
| US-6391910-B1 | OPIOID ANTAGONIST; ANALGESIC | ADOLOR CORPORATION | 2002-05-21 | — | — | US | disclosed |
| US-6303611-B1 | FOR THERAPY OF HYPERALGESIS | ADOLOR CORPORATION | 2001-10-16 | — | — | US | disclosed |
| US-6239154-B1 | ARYLACETAMIDES, AGONISTS AT KAPPA OPIOID RECEPTORS. | ADOLOR CORPORATION | 2001-05-29 | — | — | US | disclosed |
| US-6054445-A | KAPPA OPIOID AGONIST ACTIVITY; ANALGESICS AND ANTI-PRURITIC AGENTS | ADOLOR CORPORATION (US) | 2000-04-25 | — | — | US | 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 (4 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-20020103164-A1 | Kappa agonist compounds, pharmaceutical formulations and method of prevention and treatment of pruritus therewith | OPRK1, OPRD1, HRH4 | OPRK1 1/4885OPRD1 2/4885OPRM1 8/4885 |
| US-20030144272-A1 | Kappa agonist compounds and pharmaceutical formulations thereof | OPRK1, OPRD1, OPRM1 | OPRK1 1/4885OPRD1 2/4885OPRM1 3/4885 |
| US-20050020576-A1 | Kappa agonist compounds and pharmaceutical formulations thereof | OPRK1, OPRD1, OPRM1 | OPRK1 1/4885OPRD1 2/4885OPRM1 3/4885 |
| US-20020013296-A1 | Kappa agonist compounds, pharmaceutical formulations and method of prevention and treatment of pruritus therewith | OPRK1, OPRD1, HRH4 | OPRK1 1/4885OPRD1 2/4885OPRM1 8/4885 |
“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.