Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 18/20 | 0.54 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | FPR1 | P21462 | 1/20 | 0.53 |
| ▸ | TACR3 | P29371 | 1/20 | 0.53 |
| ▸ | GPR183 | P32249 | 1/20 | 0.53 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.53 |
| ▸ | GPR65 | Q8IYL9 | 1/20 | 0.53 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.53 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL28415289 | 1.00 | TACR1 (0.54) | TACR1NR3C1CYP3A4FPR1TACR3 | |
| SCHEMBL28409436 | 1.00 | TACR1 (0.54) | TACR1NR3C1CYP3A4FPR1TACR3 | |
| SCHEMBL264332 | 1.00 | TACR1 (0.54) | TACR1NR3C1CYP3A4FPR1TACR3 | |
| SCHEMBL5222535 | 1.00 | TACR1 (0.54) | TACR1NR3C1CYP3A4FPR1TACR3 | |
| SCHEMBL14900670 | 1.00 | TACR1 (0.54) | TACR1NR3C1CYP3A4FPR1TACR3 | |
| SCHEMBL271421 | 1.00 | TACR1 (0.54) | TACR1NR3C1CYP3A4FPR1TACR3 | |
| SCHEMBL5220886 | 1.00 | TACR1 (0.54) | TACR1NR3C1CYP3A4FPR1TACR3 | |
| SCHEMBL265353 | 1.00 | TACR1 (0.54) | TACR1NR3C1CYP3A4FPR1TACR3 | |
| SCHEMBL12991595 | 1.00 | TACR1 (0.54) | TACR1NR3C1CYP3A4FPR1TACR3 | |
| SCHEMBL5222778 | 1.00 | TACR1 (0.54) | TACR1NR3C1CYP3A4FPR1TACR3 |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012146692-A1 | NOVEL INTERMEDIATES FOR THE PREPARATION OF HIGHLY PURE APREPITANT OR FOSAPREPITANT | SANDOZ AG (CH) | 2012-11-01 | — | — | WO | claimed |
| CN-111303066-A | Preparation method of aprepitant impurity | 江苏海悦康医药科技有限公司 | 2020-06-19 | — | — | CN | disclosed |
| WO-2012146692-A1 | NOVEL INTERMEDIATES FOR THE PREPARATION OF HIGHLY PURE APREPITANT OR FOSAPREPITANT | SANDOZ AG (CH) | 2012-11-01 | — | — | WO | disclosed |
| US-8133994-B2 | Preparation of aprepitant | DR. REDDY'S LABORATORIES LTD. (IN) | 2012-03-13 | — | — | US | disclosed |
| US-8133994-B2 | Preparation of aprepitant | DR. REDDY'S LABORATORIES LTD. (IN) | 2012-03-13 | — | — | US | disclosed |
| US-20110094321-A1 | PREPARATION OF APREPITANT | DR. REDDY'S LABORATORIES LIMITED (IN) | 2011-04-28 | — | — | US | disclosed |
| US-20110094321-A1 | PREPARATION OF APREPITANT | DR. REDDY'S LABORATORIES LIMITED (IN) | 2011-04-28 | — | — | US | disclosed |
| US-20110009629-A1 | PREPARATION OF MORPHOLINE DERIVATIVES | SANDOZ AG (CH) | 2011-01-13 | — | — | US | disclosed |
| US-20110009629-A1 | PREPARATION OF MORPHOLINE DERIVATIVES | SANDOZ AG (CH) | 2011-01-13 | — | — | US | disclosed |
| WO-2009106486-A1 | PREPARATION OF MORPHOLINE DERIVATIVES | SANDOZ AG (CH) | 2009-09-03 | — | — | WO | disclosed |
| WO-2007044829-A2 | PREPARATION OF APREPITANT | DR. REDDY'S LABORATORIES LTD. (IN) | 2007-04-19 | — | — | 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-20110009629-A1 | PREPARATION OF MORPHOLINE DERIVATIVES | OPRK1, TACR1, CMA1 | TACR1 2/4885NR3C1 887/4885CYP3A4 38/4885 |
| US-20110094321-A1 | PREPARATION OF APREPITANT | KIT, CPA3, CMA1 | TACR1 5/4885NR3C1 969/4885CYP3A4 47/4885 |
“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.