Aprepitant

Aprepitant

SCHEMBL280611

C[C@@H](O[C@H]1OCCN(Cc2n[nH]c(=O)[nH]2)[C@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

TACR1

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)

geneUniProtsupporting neighboursconfidence
TACR1 known ✓ P25103 15/20 1.00
TACR3 P29371 2/20 1.00
NR3C1 P04150 1/20 1.00
CYP3A4 P08684 1/20 1.00
FPR1 P21462 1/20 1.00
GPR183 P32249 1/20 1.00
OPRD1 P41143 1/20 1.00
GPR65 Q8IYL9 1/20 1.00
GPR35 Q9HC97 1/20 1.00
TACR2 P21452 1/20 0.64

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.

Compoundsimilaritytop predictedshared targets
Aprepitant SCHEMBL15219399 1.00 TACR1 (1.00) TACR1TACR3NR3C1CYP3A4FPR1
Aprepitant SCHEMBL3232579 1.00 TACR1 (1.00) TACR1TACR3NR3C1CYP3A4FPR1
Aprepitant SCHEMBL263983 1.00 TACR1 (1.00) TACR1TACR3NR3C1CYP3A4FPR1
Aprepitant SCHEMBL12228634 1.00 TACR1 (1.00) TACR1TACR3NR3C1CYP3A4FPR1
Aprepitant SCHEMBL4790281 1.00 TACR1 (1.00) TACR1TACR3NR3C1CYP3A4FPR1
Aprepitant SCHEMBL23420636 1.00 TACR1 (1.00) TACR1TACR3NR3C1CYP3A4FPR1
Aprepitant SCHEMBL3232587 1.00 TACR1 (1.00) TACR1TACR3NR3C1CYP3A4FPR1
Aprepitant SCHEMBL12063232 1.00 TACR1 (1.00) TACR1TACR3NR3C1CYP3A4FPR1
Aprepitant SCHEMBL12903476 1.00 TACR1 (1.00) TACR1TACR3NR3C1CYP3A4FPR1
SCHEMBL12903485 0.95 TACR1 (0.91) 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 694 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250339483-A1 EXTRACELLULAR VESICLES FROM MICROALGAE, THEIR BIODISTRIBUTION UPON INTRANASAL ADMINISTRATION, AND USES THEREOF AGS THERAPEUTICS SAS (FR) 2025-11-06 US claimed
EP-4608424-A1 EXTRACELLULAR VESICLES FROM MICROALGAE, THEIR BIODISTRIBUTION UPON INTRANASAL ADMINISTRATION, AND USES THEREOF AGS Therapeutics SAS (FR) 2025-09-03 EP claimed
EP-4604948-A2 USE OF ANTAGONISTS OF NEUROKININ-1 RECEPTOR AND NUCLEOSIDE ANALOGS FOR THE TREATMENT OF HERPESVIRIDAE The Regents of the University of Colorado, a body corporate (US) 2025-08-27 EP claimed
EP-4543919-A1 COMBINATION THERAPIES Alligator Bioscience AB (SE) 2025-04-30 EP claimed
WO-2025085662-A1 COMPOUNDS FOR TOCOLYTIC USE VANDERBILT UNIVERSITY (US) 2025-04-24 WO claimed
EP-3441087-B1 METHODS OF TREATING CHRONIC PAIN TEVA PHARMACEUTICALS INT GMBH (CH) 2025-02-19 EP claimed
US-20240366639-A1 HETEROCYCLIC GLP-1 AGONISTS GASHERBRUM BIO INC (US) 2024-11-07 US claimed
WO-2024088808-A1 EXTRACELLULAR VESICLES FROM MICROALGAE, THEIR BIODISTRIBUTION UPON INTRANASAL ADMINISTRATION, AND USES THEREOF AGS THERAPEUTICS SAS (FR) 2024-05-02 WO claimed
WO-2023247050-A1 COMBINATION THERAPIES ALLIGATOR BIOSCIENCE AB (SE) 2023-12-28 WO claimed
WO-2023247660-A1 COMBINATION THERAPIES ALLIGATOR BIOSCIENCE AB (SE) 2023-12-28 WO claimed
US-20230381092-A1 Method for obtaining a purified substance from bee venom and anti-ageing cosmetic product comprising the purified substance MORAGA FUENTES HUGO PATRICIO (CL) 2023-11-30 US claimed
CN-116669717-A Long-acting in-situ forming/gelling composition 美国人福制药公司 2023-08-29 CN claimed
WO-2023016546-A1 HETEROCYCLIC GLP-1 AGONISTS GASHERBRUM BIO, INC. (US) 2023-02-16 WO claimed
WO-2022082327-A1 METHOD FOR OBTAINING A PURIFIED SUBSTANCE FROM BEE VENOM AND ANTI-AGEING COSMETIC PRODUCT COMPRISING THE PURIFIED SUBSTANCE MORAGA FUENTES HUGO PATRICIO (CL) 2022-04-28 WO claimed
US-20260146036-A1 CRYSTALLINE FORMS RAQUALIA PHARMA INC. (JP) 2026-05-28 US disclosed
US-20260146047-A1 MACROCYCLIC HETEROCYCLE COMPOUNDS AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2026-05-28 US disclosed
CN-122071471-A Heterocyclic compounds 武田药品工业株式会社 2026-05-22 CN disclosed
WO-2007088483-A1 AMORPHOUS AND CRYSTALLINE FORMS OF APREPITANT AND PROCESSES FOR THE PREPARATION THEREOF GLENMARK PAHRMACEUTICALS LIMITED (US) 2007-08-09 WO disclosed
US-20070149570-A1 Piperidine derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-06-28 US disclosed
WO-2007039883-A2 PROCESS FOR PREPARATION OF APREPITANT RANBAXY LABORATORIES LIMITED (IN) 2007-04-12 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 (5 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.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070149570-A1 Piperidine derivative and use thereof TACR1, OPRL1, TRPV1 TACR1 1/4885TACR3 116/4885NR3C1 626/4885
US-20250339483-A1 EXTRACELLULAR VESICLES FROM MICROALGAE, THEIR BIODISTRIBUTION UPON INTRANASAL ADMINISTRATION, AND USES THEREOF NLN, DCX, CNTN1 TACR1 1882/4885TACR3 713/4885NR3C1 846/4885
US-20240366639-A1 HETEROCYCLIC GLP-1 AGONISTS GLP1R, GIPR, GCGR TACR1 670/4885TACR3 823/4885NR3C1 1214/4885
US-20260146036-A1 CRYSTALLINE FORMS PRKCD, CCT8, CRYZ TACR1 4410/4885TACR3 4261/4885NR3C1 4554/4885
US-20260146047-A1 MACROCYCLIC HETEROCYCLE COMPOUNDS AND USE THEREOF HCRTR2, HCRTR1, NPY1R TACR1 95/4885TACR3 280/4885NR3C1 312/4885

“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.