Orvepitant

Orvepitant

SCHEMBL2484579

Cc1cc(F)ccc1[C@H]1C[C@@H](N2CCN3C(=O)CCC3C2)CCN1C(=O)N(C)[C@H](C)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 Orvepitant. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TACR1 known ✓ P25103 19/20 1.00
SIGMAR1 Q99720 2/20 1.00
PTAFR P25105 1/20 1.00
CYP3A4 P08684 2/20 0.74

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
Orvepitant SCHEMBL21931158 1.00 TACR1 (1.00) TACR1SIGMAR1PTAFRCYP3A4
Orvepitant SCHEMBL2483270 1.00 TACR1 (1.00) TACR1SIGMAR1PTAFRCYP3A4
Orvepitant SCHEMBL1421784 1.00 TACR1 (1.00) TACR1SIGMAR1PTAFRCYP3A4
Orvepitant SCHEMBL29373789 1.00 TACR1 (1.00) TACR1SIGMAR1PTAFRCYP3A4
Orvepitant SCHEMBL19581227 1.00 TACR1 (1.00) TACR1SIGMAR1PTAFRCYP3A4
Orvepitant SCHEMBL23895405 1.00 TACR1 (1.00) TACR1SIGMAR1PTAFRCYP3A4
Orvepitant SCHEMBL19117640 1.00 TACR1 (1.00) TACR1SIGMAR1PTAFRCYP3A4
Orvepitant SCHEMBL2179896 1.00 TACR1 (1.00) TACR1SIGMAR1PTAFRCYP3A4
Orvepitant SCHEMBL5360752 0.99 TACR1 (0.99) TACR1SIGMAR1PTAFRCYP3A4
Orvepitant SCHEMBL30110395 0.99 TACR1 (0.99) TACR1SIGMAR1PTAFRCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1666465-B1 Composition comprising a tachykinin receptor antagonist and a selective serotonin reuptake inhibitor GLAXO GROUP LTD (GB) 2008-05-07 EP claimed
US-20070099914-A1 Piperidine Derivatives NERRE THERAPEUTICS LIMITED (GB) 2007-05-03 US claimed
US-7189713-B2 Piperidine derivatives GLAXO GROUP LIMITED (GB) 2007-03-13 US claimed
EP-1666465-A1 Composition comprising a tachykinin receptor antagonist and a selective serotonin reuptake inhibitor GLAXO GROUP LIMITED (GB) 2006-06-07 EP claimed
EP-1472256-B1 PIPERIDINE DERIVATIVES GLAXO GROUP LTD (GB) 2005-11-02 EP claimed
US-20050176715-A1 Piperidine derivatives NERRE THERAPEUTICS LIMITED (GB) 2005-08-11 US claimed
US-9782397-B2 Treatment of corneal neovascularization IRBM SCIENCE PARK S.P.A. (IT) 2017-10-10 US disclosed
US-20140128395-A1 Novel Method IRBM SCIENCE PARK S.P.A. (IT) 2014-05-08 US disclosed
EP-2117562-B1 PHARMACEUTICAL COMPOSITIONS COMPRISING NK1 RECEPTOR ANTAGONISTS AND SODIUM CHANNEL BLOCKERS GLAXO GROUP LTD (GB) 2011-10-26 EP disclosed
US-20100152446-A1 Piperidine Derivatives NERRE THERAPEUTICS LIMITED (GB) 2010-06-17 US disclosed
US-20100105688-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING 3,5-DIAMINO-6-(2,3-DICHLOPHENYL)-1,2,4-TRIAZINE OR R(-)-2,4-DIAMINO-5-(2,3-DICHLOROPHENYL)-6-FLUOROMETHYL PYRIMIDINE AND AN NK1 GLAXO GROUP LIMITED (GB) 2010-04-29 US disclosed
US-20090326032-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING NK1 RECEPTOR ANTAGONISTS AND SODIUM CHANNEL BLOCKERS GLAXO GROUP LIMITED (GB) 2009-12-31 US disclosed
US-20090318530-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING NK1 RECEPTOR ANTAGONISTS AND SODIUM CHANNEL BLOCKERS GLAXO GROUP LIMITED (GB) 2009-12-24 US 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-2008090116-A1 NOVEL PHARMACEUTICAL COMPOSITIONS GLAXO GROUP LIMITED (GB) 2008-07-31 WO disclosed
EP-1666465-B1 Composition comprising a tachykinin receptor antagonist and a selective serotonin reuptake inhibitor GLAXO GROUP LTD (GB) 2008-05-07 EP disclosed
US-7189713-B2 Piperidine derivatives GLAXO GROUP LIMITED (GB) 2007-03-13 US disclosed
EP-1666465-A1 Composition comprising a tachykinin receptor antagonist and a selective serotonin reuptake inhibitor GLAXO GROUP LIMITED (GB) 2006-06-07 EP disclosed
EP-1472256-B1 PIPERIDINE DERIVATIVES GLAXO GROUP LTD (GB) 2005-11-02 EP disclosed
US-20050176715-A1 Piperidine derivatives NERRE THERAPEUTICS LIMITED (GB) 2005-08-11 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 (7 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-20090318530-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING NK1 RECEPTOR ANTAGONISTS AND SODIUM CHANNEL BLOCKERS HCRTR1, TACR2, CNR1 TACR1 4/4885SIGMAR1 35/4885PTAFR 1941/4885
US-20100105688-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING 3,5-DIAMINO-6-(2,3-DICHLOPHENYL)-1,2,4-TRIAZINE OR R(-)-2,4-DIAMINO-5-(2,3-DICHLOROPHENYL)-6-FLUOROMETHYL PYRIMIDINE AND AN NK1 KCNJ2, SCN5A, GRIK5 TACR1 19/4885SIGMAR1 217/4885PTAFR 843/4885
US-20070099914-A1 Piperidine Derivatives PTGES2, NFKBIA, PTGS2 TACR1 117/4885SIGMAR1 1140/4885PTAFR 676/4885
US-20050176715-A1 Piperidine derivatives NPSR1, NPY5R, SSTR5 TACR1 4/4885SIGMAR1 37/4885PTAFR 2560/4885
US-20090326032-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING NK1 RECEPTOR ANTAGONISTS AND SODIUM CHANNEL BLOCKERS TACR2, TACR1, KCNH3 TACR1 2/4885SIGMAR1 28/4885PTAFR 1735/4885
US-20100152446-A1 Piperidine Derivatives NPSR1, NPY5R, NPY4R TACR1 5/4885SIGMAR1 31/4885PTAFR 2477/4885
US-20140128395-A1 Novel Method BAK1, VIPR1, BDKRB1 TACR1 38/4885SIGMAR1 656/4885PTAFR 1498/4885

“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.