Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 2/20 | 0.63 |
| ▸ | HTR2B | P41595 | 2/20 | 0.60 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.57 |
| ▸ | MTNR1A | P48039 | 6/20 | 0.56 |
| ▸ | MTNR1B | P49286 | 5/20 | 0.54 |
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | HTR2C | P28335 | 2/20 | 0.48 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | APEX1 | P27695 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL8001598 | 0.81 | HTR1A (0.54) | HTR1AHTR2BCYP2D6MTNR1AMTNR1B | |
| SCHEMBL2534666 | 0.81 | HTR1A (0.72) | HTR1AHTR2BMTNR1AMTNR1BHTR2C | |
| SCHEMBL25028276 | 0.78 | HTR2B (0.68) | HTR1AHTR2BCYP2D6MTNR1AMTNR1B | |
| SCHEMBL25030320 | 0.77 | HTR1A (1.00) | HTR1AHTR2BCYP2D6MTNR1AMTNR1B | |
| SCHEMBL25028263 | 0.77 | HTR2B (0.71) | HTR1AHTR2BCYP2D6MTNR1AMTNR1B | |
| Oxalic Acid SCHEMBL2540168 | 0.77 | HTR2B (0.67) | HTR1AHTR2BCYP2D6MTNR1AMTNR1B | |
| SCHEMBL7850885 | 0.75 | HTR2A (0.63) | HTR1AHTR2BCYP2D6MTNR1AMTNR1B | |
| SCHEMBL7984083 | 0.75 | HTR2B (0.52) | HTR1AHTR2BCYP2D6MTNR1AMTNR1B | |
| SCHEMBL1772618 | 0.75 | HTR2B (1.00) | HTR1AHTR2BCYP2D6MTNR1AMTNR1B | |
| SCHEMBL31291665 | 0.74 | HTR2B (0.64) | HTR1AHTR2BCYP2D6MTNR1AMTNR1B |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2044016-B1 | 4-HETEROARYL-SUBSTITUTED 1-AMINOCYCLOHEXANE-1-AND CYCLOHEXENE-1-DERIVATIVES HAVING EFFECTS ON THE OPIOD RECEPTOR SYSTEM | GRUENENTHAL GMBH (DE) | 2012-12-05 | — | — | EP | disclosed |
| US-8138187-B2 | Substituted heteroaryl derivatives | GRUENENTHAL GMBH (DE) | 2012-03-20 | — | — | US | disclosed |
| US-20100009986-A1 | SUBSTITUTED HETEROARYL DERIVATIVES | GRUNENTHAL GMBH (DE) | 2010-01-14 | — | — | US | disclosed |
| EP-2044016-A2 | 4-HETEROARYL-SUBSTITUTED 1-AMINOCYCLOHEXANE-1-AND CYCLOHEXENE-1-DERIVATIVES HAVING EFFECTS ON THE OPIOD RECEPTOR SYSTEM | Grünenthal GmbH (DE) | 2009-04-08 | — | — | EP | disclosed |
| WO-2008009415-A2 | 4-HETEROARYL-SUBSTITUTED 1-AMINOCYCLOHEXANE-1- AND CYCLOHEXENE-1-DERIVATIVES HAVING EFFECTS ON THE OPIOD RECEPTOR SYSTEM | Grünenthal GmbH (DE) | 2008-01-24 | — | — | 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 (1 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-20100009986-A1 | SUBSTITUTED HETEROARYL DERIVATIVES | CYP3A43, HMGCR, ABCG2 | HTR1A 746/4885HTR2B 759/4885CYP2D6 9/4885 |
“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.