Vofopitant

Vofopitant

SCHEMBL2996010

COc1ccc(-n2nnnc2C(F)(F)F)cc1CNC1CCCNC1c1ccccc1

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 Vofopitant. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TACR1 known ✓ P25103 19/20 1.00

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
Vofopitant SCHEMBL310338 1.00 TACR1 (1.00) TACR1
Vofopitant SCHEMBL30522777 1.00 TACR1 (1.00) TACR1
Vofopitant SCHEMBL8901341 1.00 TACR1 (1.00) TACR1
Vofopitant SCHEMBL30522778 1.00 TACR1 (1.00) TACR1
Vofopitant SCHEMBL8431760 1.00 TACR1 (1.00) TACR1
Vofopitant SCHEMBL7062769 1.00 TACR1 (1.00) TACR1
Vofopitant SCHEMBL8316732 0.99 TACR1 (1.00) TACR1
Vofopitant SCHEMBL310793 0.99 TACR1 (1.00) TACR1
Vofopitant SCHEMBL5153521 0.99 TACR1 (1.00) TACR1
Vofopitant SCHEMBL29711142 0.99 TACR1 (1.00) TACR1

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 40 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1079863-A1 USE OF A COX-2 INHIBITOR AND A NK-1 RECEPTOR ANTAGONIST FOR TREATING INFLAMMATION MERCK SHARP & DOHME LTD. (GB) 2001-03-07 EP claimed
EP-1080080-A4 NOVEL THERAPEUTIC AGENTS THAT MODULATE NEUROKININ RECEPTORS ADVANCED MEDICINE INC (US) 2001-03-07 EP claimed
EP-1080080-A1 NOVEL THERAPEUTIC AGENTS THAT MODULATE NEUROKININ RECEPTORS Advanced Medicine, Inc. (US) 2001-03-07 EP claimed
WO-1999064000-A9 NOVEL THERAPEUTIC AGENTS THAT MODULATE NEUROKININ RECEPTORS ADVANCED MEDICINE INC (US) 2000-04-20 WO claimed
WO-1999064000-A1 NOVEL THERAPEUTIC AGENTS THAT MODULATE NEUROKININ RECEPTORS ADVANCED MEDICINE, INC. (US) 1999-12-16 WO claimed
WO-1999059635-A1 USE OF A COX-2 INHIBITOR AND A NK-1 RECEPTOR ANTAGONIST FOR TREATING INFLAMMATION MERCK SHARP & DOHME LIMITED (GB) 1999-11-25 WO claimed
CN-118252832-A Use of Vofopitant for the treatment of scleroderma 上海数因信科智能科技有限公司 2024-06-28 CN disclosed
US-20220218663-A1 METHOD FOR PREVENTING AND/OR TREATING CHRONIC TRAUMATIC ENCEPHALOPATHY-I EUSTRALIS PHARMACEUTICALS LIMITED (TRADING AS PRESSURA NEURO) (AU) 2022-07-14 US disclosed
US-20210100773-A1 METHOD FOR PREVENTING AND/OR TREATING CHRONIC TRAUMATIC ENCEPHALOPATHY-I EUSTRALIS PHARMACEUTICALS LIMITED (TRADING AS PRESSURA NEURO) (AU) 2021-04-08 US disclosed
US-10729677-B2 Method for preventing and/or treating chronic traumatic encephalopathy-I EUSTRALIS PHARMACEUTICAL LIMITED (TRADING AS PRESSURA NEURO) (AU) 2020-08-04 US disclosed
EP-3016642-B1 METHOD FOR PREVENTING AND/OR TREATING CHRONIC TRAUMATIC ENCEPHALOPATHY-I EUSTRALIS PHARMACEUTICALS LTD TRADING AS PRESSURA NEURO (AU) 2019-03-13 EP disclosed
US-10201568-B2 Brain, spinal, and nerve injury treatment EUSTRALIS PHARMACEUTICALS LIMITED (AU) 2019-02-12 US disclosed
US-20180071333-A1 BRAIN, SPINAL, AND NERVE INJURY TREATMENT EUSTRALIS PHARMACEUTICALS LIMITED (AU) 2018-03-15 US disclosed
US-6140324-A ADMINISTERING TACHYKININ ANTAGONIST AND MUSCARINIC ANTAGONIST AND/OR ANTIHISTAMINE, SUCH THAT THEY GIVE EFFECTIVE RELIEF FROM MOTION SICKNESS MERCK SHARP & DOHME LTD. (GB) 2000-10-31 US disclosed
WO-1999064000-A9 NOVEL THERAPEUTIC AGENTS THAT MODULATE NEUROKININ RECEPTORS ADVANCED MEDICINE INC (US) 2000-04-20 WO disclosed
EP-0977573-A1 USE OF AN NK-1 RECEPTOR ANTAGONIST AND AN SSRI FOR TREATING OBESITY MERCK SHARP & DOHME LTD. (GB) 2000-02-09 EP disclosed
WO-1999064000-A1 NOVEL THERAPEUTIC AGENTS THAT MODULATE NEUROKININ RECEPTORS ADVANCED MEDICINE, INC. (US) 1999-12-16 WO disclosed
US-5981526-A SYNERGISTIC TREATMENT OR PREVENTION OF MIGRAINE MERCK SHARP & DOHME LTD. (GB) 1999-11-09 US disclosed
WO-1998047514-A1 USE OF AN NK-1 RECEPTOR ANTAGONIST AND AN SSRI FOR TREATING OBESITY MERCK SHARP & DOHME LIMITED (GB) 1998-10-29 WO disclosed
US-5703240-A ANALGESICS; ANTIINFLAMMATORY AGENTS; NERVOUS SYSTEM DISORDERS; PSYCHOLOGICAL DISORDERS; GASTROINTESTINAL DISORDERS GLAXO GROUP LIMITED (GB) 1997-12-30 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.

PatentTitleText reads most aboutPredicted target · text-rank
US-20180071333-A1 BRAIN, SPINAL, AND NERVE INJURY TREATMENT TACR1, TACR2, NPSR1 TACR1 1/4885
US-10201568-B2 Brain, spinal, and nerve injury treatment TACR1, TACR2, NPSR1 TACR1 1/4885

“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.