Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 6/20 | 0.41 |
| ▸ | ESR2 | Q92731 | 6/20 | 0.41 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.40 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.39 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.39 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.37 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.36 |
| ▸ | ACHE | P22303 | 2/20 | 0.36 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL3531383 | 1.00 | ESR1 (0.41) | ESR1ESR2GRIN2BCYP4F2CYP4A11 | |
| SCHEMBL1726878 | 0.90 | OPRD1 (0.45) | ESR1ESR2OPRD1ACHE | |
| SCHEMBL4517111 | 0.90 | OPRD1 (0.45) | ESR1ESR2OPRD1ACHE | |
| SCHEMBL1726880 | 0.90 | OPRD1 (0.45) | ESR1ESR2OPRD1ACHE | |
| SCHEMBL14606247 | 0.82 | DRD2 (0.42) | ESR1ESR2OPRD1ACHE | |
| SCHEMBL586548 | 0.80 | RXRA (0.36) | OPRD1HSD11B1 | |
| SCHEMBL22517096 | 0.79 | HTR2C (0.43) | OPRD1ACHE | |
| SCHEMBL14544267 | 0.79 | CYP4F2 (0.42) | ESR1ESR2GRIN2BCYP4F2CYP4A11 | |
| SCHEMBL20671934 | 0.78 | ESR1 (0.36) | ESR1ESR2OPRD1ACHE | |
| SCHEMBL28106712 | 0.78 | ESR1 (0.36) | ESR1ESR2OPRD1ACHE |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7662811-B2 | N-(((5R)-5-((1-methylethyl)amino)-5,6,7,8-tetrahydro-2-naphthalenyl)methyl)-2-((2R)-1-((4-methylphenyl)sulfonyl)-3-oxo-1,2,3,4-tetrahydro-2-pyrazinyl)acetamide; for treatment of pain and diseases, such as inflammation mediated diseases | AMGEN INC. (US) | 2010-02-16 | — | — | US | disclosed |
| US-20090054460-A1 | Piperazine derivatives and methods of use | CHEN JIAN J | 2009-02-26 | — | — | US | disclosed |
| US-7393852-B2 | Piperazine derivatives and methods of use | AMGEN INC. (US) | 2008-07-01 | — | — | US | disclosed |
| EP-1656355-B1 | PIPERAZINE DERIVATIVES AND METHODS OF USE | AMGEN INC (US) | 2008-03-12 | — | — | EP | disclosed |
| EP-1878728-A2 | Derivatives of piperazine and higher homologues thereof for the treatment of inflammation-related disorders | Amgen Inc. (US) | 2008-01-16 | — | — | EP | disclosed |
| US-20060111347-A1 | Substituted sulfones and methods of use | AMGEN INC. (US) | 2006-05-25 | — | — | US | disclosed |
| US-20060025400-A1 | 1,2,3,4-Tetrahydropyrazin-2-yl acetamides and methods of use | AMGEN INC. | 2006-02-02 | — | — | US | disclosed |
| US-20050014749-A1 | analgesics; antiinflammatory agents; antiarthritic agents;Alzheimer's disease; cirrhosis; antiallergens; antihistamines ; anticancer agents; vision defects | AMGEN INC. | 2005-01-20 | — | — | 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-20060025400-A1 | 1,2,3,4-Tetrahydropyrazin-2-yl acetamides and methods of use | AADAC, PTGES2, LTC4S | ESR1 3988/4885ESR2 1798/4885GRIN2B 2224/4885 |
| US-20090054460-A1 | Piperazine derivatives and methods of use | PTGES, PTGES2, PTGIS | ESR1 3251/4885ESR2 987/4885GRIN2B 1549/4885 |
| US-20060111347-A1 | Substituted sulfones and methods of use | SULT2A1, STS, SULT1A1 | ESR1 1882/4885ESR2 1018/4885GRIN2B 2532/4885 |
| US-20050014749-A1 | analgesics; antiinflammatory agents; antiarthritic agents;Alzheimer's disease; cirrhosis; antiallergens; antihistamines ; anticancer agents; vision defects | ACHE, TNF, BCHE | ESR1 3607/4885ESR2 2345/4885GRIN2B 2932/4885 |
“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.