Vofopitant

Vofopitant

SCHEMBL310793

COc1ccc(-n2nnnc2C(F)(F)F)cc1CN[C@H]1CCCN[C@H]1c1ccccc1.Cl.Cl

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 SCHEMBL5153521 1.00 TACR1 (1.00) TACR1
Vofopitant SCHEMBL29711142 1.00 TACR1 (1.00) TACR1
Vofopitant SCHEMBL8316732 1.00 TACR1 (1.00) TACR1
Vofopitant SCHEMBL310338 0.99 TACR1 (1.00) TACR1
Vofopitant SCHEMBL7062769 0.99 TACR1 (1.00) TACR1
Vofopitant SCHEMBL8431760 0.99 TACR1 (1.00) TACR1
Vofopitant SCHEMBL30522777 0.99 TACR1 (1.00) TACR1
Vofopitant SCHEMBL8901341 0.99 TACR1 (1.00) TACR1
Vofopitant SCHEMBL2996010 0.99 TACR1 (1.00) TACR1
Vofopitant SCHEMBL30522778 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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024139979-A1 USE OF VOFOPITANT FOR TREATING SCLERODERMA 上海数因信科智能科技有限公司 2024-07-04 WO disclosed
CN-118252833-A Use of Vofopitant for the treatment of pulmonary fibrosis 上海数因信科智能科技有限公司 2024-06-28 CN disclosed
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-11083726-B2 Methods and compositions for treating vasomotor symptoms UNIVERSITY OF WASHINGTON THROUGH ITS CENTER FOR COMMERCIALIZATION (US) 2021-08-10 US disclosed
US-20210030745-A9 Methods and Compositions for Treating Vasomotor Symptoms ACER THERAPEUTICS INC. 2021-02-04 US disclosed
US-20190255037-A1 Methods and Compositions for Treating Vasomotor Symptoms UNIV WASHINGTON THROUGH ITS CENTER FOR COMMERCIALIZATION (US) 2019-08-22 US disclosed
US-20170231979-A1 Methods and Compositions for Treating Vasomotor Symptoms UNIVERSITY OF WASHINGTON THROUGH ITS CENTER FOR COMMERCIALIZATION 2017-08-17 US disclosed
US-20170020855-A1 Methods and Compositions for Treating Vasomotor Symptoms UNIVERSITY OF WASHINGTON THROUGH ITS CENTER FOR COMMERCIALIZATION 2017-01-26 US disclosed
US-20150272927-A1 METHODS AND COMPOSITIONS FOR TREATING VASOMOTOR SYMPTOMS UNIVERSITY OF WASHINGTON THROUGH ITS CENTER FOR COMMERCIALIZATION 2015-10-01 US disclosed
US-8093268-B2 Pharmaceutical compositions comprising 2-methoxy-5-(5-trifluoromethyl-tetrazol-1-yl-benzyl)-(2S-phenylpiperidin-3S-yl-) GLAXO GROUP LIMITED (GB) 2012-01-10 US disclosed
WO-2008090116-A1 NOVEL PHARMACEUTICAL COMPOSITIONS GLAXO GROUP LIMITED (GB) 2008-07-31 WO disclosed
WO-2008090117-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING 3, 5-DIAMIN0-6- (2, 3-DICHL0PHENYL) -L, 2, 4-TRIAZINE OR R (-) -2, 4-DIAMINO-5- (2, 3-DICHLOROPHENYL) -6-FLUOROMETHYL PYRIMIDINE AND AN NK1 GLAXO GROUP LIMITED (GB) 2008-07-31 WO disclosed
WO-2008090114-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING 2-METHOXY-5- (5-TRIFLUOROMETHYL-TETRAZOL-I-YL-BENZYL) - (2S-PHENYL-PIPERIDIN-3S-YL-) GLAXO GROUP LIMITED (GB) 2008-07-31 WO disclosed
EP-0802912-B1 PIPERIDINE DERIVATIVES HAVING TACHYKININ ANTAGONIST ACTIVITY GLAXO GROUP LTD (GB) 2004-10-13 EP disclosed
US-6020346-A Piperidine derivatives having tachykinin antagonist activity GLAXO WELLCOME INC. (US) 2000-02-01 US disclosed
US-5843966-A Piperidine derivatives GLAXO GROUP LIMITED (GB) 1998-12-01 US disclosed
EP-0720609-B1 3-(5-TETRAZOLYL-BENZYL)AMINO-PIPERIDINE DERIVATIVES AND ANTAGONISTS OF TACHYKININS GLAXO GROUP LTD (GB) 1998-11-11 EP disclosed
US-5703240-A ANALGESICS; ANTIINFLAMMATORY AGENTS; NERVOUS SYSTEM DISORDERS; PSYCHOLOGICAL DISORDERS; GASTROINTESTINAL DISORDERS GLAXO GROUP LIMITED (GB) 1997-12-30 US disclosed
EP-0802912-A1 PIPERIDINE DERIVATIVES HAVING TACHYKININ ANTAGONIST ACTIVITY GLAXO GROUP LIMITED (GB) 1997-10-29 EP disclosed
WO-1996021661-A1 PIPERIDINE DERIVATIVES HAVING TACHYKININ ANTAGONIST ACTIVITY GLAXO GROUP LIMITED (GB) 1996-07-18 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 (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.

PatentTitleText reads most aboutPredicted target · text-rank
US-20210030745-A9 Methods and Compositions for Treating Vasomotor Symptoms VASP, PDE3A, PDE2A TACR1 226/4885
US-20190255037-A1 Methods and Compositions for Treating Vasomotor Symptoms VASP, PDE3A, PDE2A TACR1 226/4885
US-20150272927-A1 METHODS AND COMPOSITIONS FOR TREATING VASOMOTOR SYMPTOMS VASP, PDE3A, PDE2A TACR1 226/4885
US-11083726-B2 Methods and compositions for treating vasomotor symptoms VASP, PDE3A, PDE2A TACR1 226/4885
US-20170231979-A1 Methods and Compositions for Treating Vasomotor Symptoms VASP, PDE3A, PDE2A TACR1 226/4885
US-20170020855-A1 Methods and Compositions for Treating Vasomotor Symptoms VASP, PDE3A, PDE2A TACR1 226/4885

“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.