Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Aprepitant. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 known ✓ | P25103 | 18/20 | 0.78 |
| ▸ | TACR3 | P29371 | 2/20 | 0.78 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.78 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.78 |
| ▸ | FPR1 | P21462 | 1/20 | 0.78 |
| ▸ | GPR183 | P32249 | 1/20 | 0.78 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.78 |
| ▸ | GPR65 | Q8IYL9 | 1/20 | 0.78 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.78 |
| ▸ | TACR2 | P21452 | 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 | |
|---|---|---|---|---|
| Aprepitant SCHEMBL28850 | 1.00 | TACR1 (0.78) | TACR1TACR3NR3C1CYP3A4FPR1 | |
| Aprepitant SCHEMBL264924 | 1.00 | TACR1 (0.78) | TACR1TACR3NR3C1CYP3A4FPR1 | |
| Aprepitant SCHEMBL16770383 | 1.00 | TACR1 (0.78) | TACR1TACR3NR3C1CYP3A4FPR1 | |
| Aprepitant SCHEMBL2687974 | 1.00 | TACR1 (0.78) | TACR1TACR3NR3C1CYP3A4FPR1 | |
| Aprepitant SCHEMBL1472775 | 1.00 | TACR1 (0.78) | TACR1TACR3NR3C1CYP3A4FPR1 | |
| Aprepitant SCHEMBL24067953 | 1.00 | TACR1 (0.78) | TACR1TACR3NR3C1CYP3A4FPR1 | |
| SCHEMBL17131462 | 0.97 | TACR1 (0.74) | TACR1TACR3NR3C1CYP3A4FPR1 | |
| SCHEMBL16768624 | 0.95 | TACR1 (0.72) | TACR1TACR3NR3C1CYP3A4FPR1 | |
| SCHEMBL5223102 | 0.89 | TACR1 (0.62) | TACR1TACR3NR3C1CYP3A4FPR1 | |
| SCHEMBL5223100 | 0.89 | TACR1 (0.62) | 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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230190740-A1 | AN NK-1 RECEPTOR ANTAGONIST FOR TREATING A DISEASE SELECTING FROM SEPSIS, SEPTIC SHOCK, ACUTE RESPIRATORY DISTRESS SYNDROME (ARDS) OR MULTIPLE ORGAN DYSFUNCTION SYNDROME (MODS) | NERRE THERAPEUTICS LIMITED (GB) | 2023-06-22 | — | — | US | disclosed |
| US-20230190740-A1 | AN NK-1 RECEPTOR ANTAGONIST FOR TREATING A DISEASE SELECTING FROM SEPSIS, SEPTIC SHOCK, ACUTE RESPIRATORY DISTRESS SYNDROME (ARDS) OR MULTIPLE ORGAN DYSFUNCTION SYNDROME (MODS) | NERRE THERAPEUTICS LIMITED (GB) | 2023-06-22 | — | — | US | disclosed |
| EP-4019023-A1 | FORMULATIONS OF FOSAPREPITANT AND APREPITANT | Zhuhai Beihai Biotech Co., Ltd. (CN) | 2022-06-29 | — | — | EP | disclosed |
| EP-3493815-B1 | FORMULATIONS OF FOSAPREPITANT AND APREPITANT | ZHUHAI BEIHAI BIOTECH CO LTD (CN) | 2022-02-16 | — | — | EP | disclosed |
| EP-2963019-B1 | METHOD FOR PRODUCING PYRIDINE-3-SULFONYL CHLORIDE | TAKEDA PHARMACEUTICALS CO (JP) | 2020-08-12 | — | — | EP | disclosed |
| US-10370357-B2 | Method for producing sulfonyl chloride compound | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2019-08-06 | — | — | US | disclosed |
| US-20180170905-A1 | Method for Producing Sulfonyl Chloride Compound | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2018-06-21 | — | — | US | disclosed |
| EP-3305797-A1 | ANTAGONISTS OF NK1 RECEPTORS DERIVED FROM CARBOHYDRATES, PRODUCTION METHOD AND MEDICAL USE | Consejo Superior De Investigaciones Científicas (CSIC) (ES) | 2018-04-11 | — | — | EP | disclosed |
| US-9932322-B2 | Method for producing sulfonyl chloride compound | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2018-04-03 | — | — | US | disclosed |
| EP-2309985-B1 | PHARMACEUTICAL COMPOSITION | TAKEDA PHARMACEUTICALS CO (JP) | 2018-03-14 | — | — | EP | disclosed |
| EP-2564833-A1 | Photostabilized pharmaceutical composition | Takeda Pharmaceutical Company Limited (JP) | 2013-03-06 | — | — | EP | disclosed |
| CN-102939285-A | Preparation method of 5-[[2(r)-[1(r)-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3(s)-4-fluorophenyl-4-morpholinyl]methyl]-1,2-dihydro-3h-1,2,4-triazole-3-one | CHENGDU DI AO PHARMACEUTICAL GROUP CO LTD | 2013-02-20 | — | — | CN | disclosed |
| CN-102939285-A | Preparation method of 5-[[2(r)-[1(r)-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3(s)-4-fluorophenyl-4-morpholinyl]methyl]-1,2-dihydro-3h-1,2,4-triazole-3-one | CHENGDU DI AO PHARMACEUTICAL GROUP CO LTD | 2013-02-20 | — | — | CN | disclosed |
| US-8080656-B2 | Process for the preparation of aprepitant | RANBAXY LABORATORIES LIMITED (IN) | 2011-12-20 | — | — | US | disclosed |
| US-20110124687-A1 | PHARMACEUTICAL COMPOSITION | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2011-05-26 | — | — | US | disclosed |
| US-7718809-B2 | Chromane substituted benzimidazole derivatives as acid pump antagonists | RAQUALIA PHARMA INC. (JP) | 2010-05-18 | — | — | US | disclosed |
| US-20100004242-A1 | PROCESS FOR THE PREPARATION OF APREPITANT | RANBAXY LABORATORIES LIMITED (IN) | 2010-01-07 | — | — | US | disclosed |
| WO-2009124756-A1 | USE OF APREPITANT AND DERIVATIVES THEREOF FOR THE TREATMENT OF CANCER | EUROPEAN MOLECULAR BIOLOGY LABORATORY (EMBL) (DE) | 2009-10-15 | — | — | WO | disclosed |
| WO-2008097546-A2 | COMPOUNDS THAT INHIBIT CHOLINESTERASE | COLUCID PHARMACEUTICALS, INC. (US) | 2008-08-14 | — | — | WO | disclosed |
| US-20050215786-A1 | reacting the hydrochloride salt of 1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholine with Methyl N-[(1-amino-2-chloro-ethylidene)amino]carbamate, in the presence of potassium carbonate, toluene and dimethylsulfoxide, then washing, drying, cyclization of the intermediate | MERCK SHARP & DOHME LLC | 2005-09-29 | — | — | 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 (6 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-20110124687-A1 | PHARMACEUTICAL COMPOSITION | CYP2C19, MLST8, CYP3A43 | TACR1 1303/4885TACR3 4129/4885NR3C1 2352/4885 |
| US-10370357-B2 | Method for producing sulfonyl chloride compound | P2RY4, P2RY6, P2RX4 | TACR1 54/4885TACR3 683/4885NR3C1 3321/4885 |
| US-20230190740-A1 | AN NK-1 RECEPTOR ANTAGONIST FOR TREATING A DISEASE SELECTING FROM SEPSIS, SEPTIC SHOCK, ACUTE RESPIRATORY DISTRESS SYNDROME (ARDS) OR MULTIPLE ORGAN DYSFUNCTION SYNDROME (MODS) | KLKB1, KLK1, BDKRB1 | TACR1 13/4885TACR3 58/4885NR3C1 224/4885 |
| US-20100004242-A1 | PROCESS FOR THE PREPARATION OF APREPITANT | CMA1, CYP3A5, TPSB2 | TACR1 16/4885TACR3 189/4885NR3C1 1776/4885 |
| US-20050215786-A1 | reacting the hydrochloride salt of 1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholine with Methyl N-[(1-amino-2-chloro-ethylidene)amino]carbamate, in the presence of potassium carbonate, toluene and dimethylsulfoxide, then washing, drying, cyclization of the intermediate | TACR1, TACR2, NPSR1 | TACR1 1/4885TACR3 4/4885NR3C1 217/4885 |
| US-20180170905-A1 | Method for Producing Sulfonyl Chloride Compound | P2RY4, P2RY6, P2RX4 | TACR1 54/4885TACR3 683/4885NR3C1 3321/4885 |
“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.