Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Fosaprepitant. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 known ✓ | P25103 | 18/20 | 0.73 |
| ▸ | TACR3 | P29371 | 2/20 | 0.73 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.73 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.73 |
| ▸ | FPR1 | P21462 | 1/20 | 0.73 |
| ▸ | GPR183 | P32249 | 1/20 | 0.73 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.73 |
| ▸ | GPR65 | Q8IYL9 | 1/20 | 0.73 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.73 |
| ▸ | TACR2 | P21452 | 1/20 | 0.47 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| Fosaprepitant SCHEMBL12903477 | 1.00 | TACR1 (0.73) | TACR1TACR3NR3C1CYP3A4FPR1 | |
| Fosaprepitant SCHEMBL21009635 | 1.00 | TACR1 (0.73) | TACR1TACR3NR3C1CYP3A4FPR1 | |
| Fosaprepitant SCHEMBL19749078 | 1.00 | TACR1 (0.73) | TACR1TACR3NR3C1CYP3A4FPR1 | |
| Fosaprepitant SCHEMBL309491 | 1.00 | TACR1 (0.73) | TACR1TACR3NR3C1CYP3A4FPR1 | |
| SCHEMBL12903486 | 0.96 | TACR1 (0.68) | TACR1TACR3NR3C1CYP3A4FPR1 | |
| SCHEMBL12534145 | 0.95 | TACR1 (0.72) | TACR1TACR3NR3C1CYP3A4FPR1 | |
| SCHEMBL19908494 | 0.94 | TACR1 (0.64) | TACR1TACR3NR3C1CYP3A4FPR1 | |
| SCHEMBL12534143 | 0.93 | TACR1 (0.74) | TACR1TACR3NR3C1CYP3A4FPR1 | |
| SCHEMBL12748225 | 0.92 | TACR1 (0.72) | TACR1TACR3NR3C1CYP3A4FPR1 | |
| SCHEMBL19908491 | 0.92 | TACR1 (0.61) | TACR1TACR3NR3C1CYP3A4FPR1 |
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 |
|---|---|---|---|---|---|---|---|
| US-10544175-B2 | Crystalline fosaprepitant dicyclohexylamine salt and its preparation | NAVINTA, LLC (US) | 2020-01-28 | — | — | US | disclosed |
| EP-3100735-B1 | CRYSTALLINE FOSAPREPITANT DICYCLOHEXYLAMINE SALT AND ITS PREPARATION | NAVINTA LLC (US) | 2018-02-28 | — | — | EP | disclosed |
| US-20180030076-A1 | Crystalline Fosaprepitant Dicyclohexylamine Salt and its Preparation | NAVINTA, LLC | 2018-02-01 | — | — | US | disclosed |
| US-9850267-B2 | Crystalline fosaprepitant dicyclohexylamine salt and its preparation | NAVINTA, LLC (US) | 2017-12-26 | — | — | 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 (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-10544175-B2 | Crystalline fosaprepitant dicyclohexylamine salt and its preparation | HRH1, HRH3, HRH2 | TACR1 739/4885TACR3 3643/4885NR3C1 457/4885 |
| US-20180030076-A1 | Crystalline Fosaprepitant Dicyclohexylamine Salt and its Preparation | HRH1, HRH3, HRH2 | TACR1 739/4885TACR3 3643/4885NR3C1 457/4885 |
“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.