Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.59 |
| ▸ | KDM1A | O60341 | 1/20 | 0.55 |
| ▸ | OPRM1 | P35372 | 3/20 | 0.54 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.54 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.54 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.54 |
| ▸ | MEN1 | O00255 | 2/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | SLC6A2 | P23975 | 5/20 | 0.48 |
| ▸ | SLC6A4 | P31645 | 5/20 | 0.48 |
| ▸ | SLC22A1 | O15245 | 3/20 | 0.48 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.48 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.48 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.48 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.48 |
| ▸ | CHRNG | P07510 | 1/20 | 0.48 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.48 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.48 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL6663444 | 0.86 | ALDH1A1 (0.60) | ALDH1A1KDM1AOPRM1OPRD1OPRK1 | |
| SCHEMBL31557718 | 0.85 | OPRM1 (0.64) | ALDH1A1KDM1AOPRM1OPRD1OPRK1 | |
| SCHEMBL5392497 | 0.82 | ALDH1A1 (0.56) | ALDH1A1KDM1AOPRM1OPRD1OPRK1 | |
| SCHEMBL1660644 | 0.82 | OPRM1 (0.61) | ALDH1A1KDM1AOPRM1OPRD1OPRK1 | |
| SCHEMBL6831189 | 0.82 | OPRM1 (0.61) | ALDH1A1KDM1AOPRM1OPRD1OPRK1 | |
| SCHEMBL30567205 | 0.81 | OPRM1 (0.59) | ALDH1A1KDM1AOPRM1OPRD1OPRK1 | |
| SCHEMBL4180702 | 0.81 | OPRM1 (0.59) | ALDH1A1KDM1AOPRM1OPRD1OPRK1 | |
| Hydrochloric Acid SCHEMBL4464330 | 0.80 | OPRM1 (0.58) | ALDH1A1KDM1AOPRM1OPRD1OPRK1 | |
| SCHEMBL4880771 | 0.78 | KMT2A (0.65) | ALDH1A1KDM1AOPRM1OPRD1OPRK1 | |
| SCHEMBL4880766 | 0.78 | KMT2A (0.65) | ALDH1A1KDM1AOPRM1OPRD1OPRK1 |
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-7217729-B2 | Substituted indoles, process for the production thereof and use thereof for combatting pain | GRUNENTHAL GMBH (DE) | 2007-05-15 | — | — | US | disclosed |
| EP-1472221-B1 | SUBSTITUTED INDOLES, METHOD FOR PRODUCTION AND USE THEREOF FOR THE INHIBITION OF PAIN | GRUENENTHAL GMBH (DE) | 2006-03-22 | — | — | EP | disclosed |
| US-20040224954-A1 | Substituted 1H-quinoxalin-2-one compounds and substituted 4-aryl- and 4-heteroarylcyclohexane compounds | GRUNENTHAL GMBH (DE) | 2004-11-11 | — | — | US | disclosed |
| US-20040225003-A1 | 4,6-Dimethyl-3-{[3'-(N,N-dimethylaminomethyl)-4-hydroxy-4'-(3''-methoxyphenyl)-cyclohexylamino]-methyl}-1H-indole 2-carboxylic acid ethyl ester or other derivatives of substituted indoles; for treatment or prevention of neurodegenerative diseases, psychological disorders, AIDS, inflammation or allergies | GRUNENTHAL GMBH (DE) | 2004-11-11 | — | — | US | disclosed |
| EP-1472221-A2 | SUBSTITUTED INDOLES, METHOD FOR PRODUCTION AND USE THEREOF FOR THE INHIBITION OF PAIN | Grünenthal GmbH (DE) | 2004-11-03 | — | — | EP | disclosed |
| EP-1444212-A1 | SUBSTITUTED (1H)-QUINOXALIN-2-ONE COMPOUNDS AND SUBSTITUTED 4-ARYL- AND 4-HETEROARYLCYCLOHEXANE COMPOUNDS | Grünenthal GmbH (DE) | 2004-08-11 | — | — | EP | disclosed |
| WO-2003037863-A2 | SUBSTITUTED INDOLES, METHOD FOR PRODUCTION AND USE THEREOF FOR THE INHIBITION OF PAIN | Grünenthal GmbH (DE) | 2003-05-08 | — | — | WO | disclosed |
| WO-2003037879-A1 | SUBSTITUTED (1H)-QUINOXALIN-2-ONE COMPOUNDS AND SUBSTITUTED 4-ARYL- AND 4-HETEROARYLCYCLOHEXANE COMPOUNDS | Grünenthal GmbH (DE) | 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 (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-20040225003-A1 | 4,6-Dimethyl-3-{[3'-(N,N-dimethylaminomethyl)-4-hydroxy-4'-(3''-methoxyphenyl)-cyclohexylamino]-methyl}-1H-indole 2-carboxylic acid ethyl ester or other derivatives of substituted indoles; for treatment or prevention of neurodegenerative diseases, psychological disorders, AIDS, inflammation or allergies | HNMT, HTR6, HTR3C | ALDH1A1 1253/4885KDM1A 685/4885OPRM1 287/4885 |
| US-20040224954-A1 | Substituted 1H-quinoxalin-2-one compounds and substituted 4-aryl- and 4-heteroarylcyclohexane compounds | NQO2, NQO1, CYP2C8 | ALDH1A1 882/4885KDM1A 1049/4885OPRM1 661/4885 |
“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.