Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.60 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.60 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.60 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.60 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.60 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.60 |
| ▸ | LMNA | P02545 | 3/20 | 0.59 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.58 |
| ▸ | MAPT | P10636 | 10/20 | 0.57 |
| ▸ | MEN1 | O00255 | 4/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.57 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.57 |
| ▸ | GAA | P10253 | 2/20 | 0.55 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.55 |
| ▸ | HPGD | P15428 | 1/20 | 0.55 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.55 |
| ▸ | POLB | P06746 | 1/20 | 0.54 |
| ▸ | TP53 | P04637 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL2380211 | 0.91 | SMN1; SMN2 (0.66) | SMN1; SMN2CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL2378990 | 0.90 | SMN1; SMN2 (0.65) | SMN1; SMN2CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL392573 | 0.82 | SMN1; SMN2 (0.85) | SMN1; SMN2CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL22076496 | 0.82 | MAPT (0.67) | SMN1; SMN2CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL10676155 | 0.80 | SMN1; SMN2 (0.68) | SMN1; SMN2CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL4071928 | 0.80 | LMNA (0.70) | SMN1; SMN2CYP1A2CYP3A4CYP2D6CYP2C9 | |
| Methyl 3-(3-Indolylmethyl)Propanoate SCHEMBL290808 | 0.79 | MAPT (0.71) | SMN1; SMN2CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL1520024 | 0.79 | MAPT (0.64) | SMN1; SMN2CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL19426752 | 0.79 | MAPT (0.63) | SMN1; SMN2CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL21819666 | 0.78 | MAPT (0.62) | SMN1; SMN2CYP1A2CYP3A4CYP2D6CYP2C9 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101516844-B | 4-heteroaryl substituted 1-aminocyclohexane-1-and cyclohexene-1-derivatives having activity on opioid receptor systems | GRUENENTHAL GMBH | 2013-12-11 | — | — | CN | 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 |
| CN-101516844-A | 4-heteroaryl substituted 1-aminocyclohexane-1-and cyclohexene-1-derivatives having activity on opioid receptor systems | GRUENENTHAL GMBH (DE) | 2009-08-26 | — | — | CN | 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 | SMN1; SMN2 4848/4885CYP1A2 29/4885CYP3A4 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.