SCHEMBL925689

SCHEMBL925689

CC1(C)OCc2cc([C@@H](O)CNCCCCCCOCCOCc3c(Cl)cccc3Cl)ccc2O1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 20/20 0.59
ADRB1 P08588 15/20 0.59
MLNR O43193 1/20 0.59
NR1I2 O75469 1/20 0.59
ABCB11 O95342 1/20 0.59
ADORA3 P0DMS8 1/20 0.59
DRD1 P21728 1/20 0.59
SLC6A2 P23975 1/20 0.59
HTR2A P28223 1/20 0.59
SLC6A4 P31645 1/20 0.59
ADRA1A P35348 1/20 0.59
PTGS2 P35354 1/20 0.59
MC3R P41968 1/20 0.59
SLC6A3 Q01959 1/20 0.59
PDE4D Q08499 1/20 0.59
SCN5A Q14524 1/20 0.59
GHSR Q92847 1/20 0.59
ADRB3 P13945 15/20 0.58

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
SCHEMBL6428760 1.00 ADRB2 (0.59) ADRB2ADRB1MLNRNR1I2ABCB11
SCHEMBL928498 1.00 ADRB2 (0.59) ADRB2ADRB1MLNRNR1I2ABCB11
SCHEMBL23014462 1.00 ADRB2 (0.59) ADRB2ADRB1MLNRNR1I2ABCB11
SCHEMBL15614731 0.94 ADRB2 (0.54) ADRB2ADRB1MLNRNR1I2ABCB11
SCHEMBL2563406 0.90 ADRB2 (0.47) ADRB2ADRB1MLNRNR1I2ABCB11
SCHEMBL28471346 0.88 ADRB2 (0.49) ADRB2ADRB1MLNRNR1I2ABCB11
SCHEMBL2586701 0.86 ADRB2 (0.50) ADRB2ADRB1MLNRNR1I2ABCB11
SCHEMBL925085 0.86 ADRB2 (0.50) ADRB2ADRB1MLNRNR1I2ABCB11
SCHEMBL15614682 0.86 ADRB2 (0.45) ADRB2ADRB1SLC6A2HTR2ASLC6A4
SCHEMBL5429959 0.84 ADRB3 (0.41) ADRB2ADRB1MLNRNR1I2ABCB11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4013398-A1 AN IMPROVED PROCESS FOR PREPARATION OF VILANTEROL OR A PHARMACEUTICALLY ACCEPTABLE SALT THEREOF Melody Healthcare Pvt. Ltd. (IN) 2022-06-22 EP claimed
US-8198483-B2 Phenethanolamine derivatives for treatment of respiratory diseases GLAXO GROUP LIMITED (GB) 2012-06-12 US claimed
US-20110269970-A1 Phenethanolamine Derivatives for Treatment of Respiratory Diseases GLAXO GROUP LIMITED (GB) 2011-11-03 US claimed
US-7982067-B2 Phenethanolamine derivatives for treatment of respiratory diseases GLAXO GROUP LIMITED (GB) 2011-07-19 US claimed
US-20110009631-A1 Phenethanolamine Derivatives for Treatment of Respiratory Diseases GLAXO GROUP LIMITED (GB) 2011-01-13 US claimed
EP-4452924-B1 PROCESS TO PREPARE VILANTEROL TRIFENATATE HOVIONE SCIENTIA LTD (IE) 2025-12-03 EP disclosed
US-20250051261-A1 Process to Prepare Vilanterol Trifenatate HOVIONE SCIENTIA LIMITED (IE) 2025-02-13 US disclosed
EP-4452924-A1 PROCESS TO PREPARE VILANTEROL TRIFENATATE Hovione Scientia Limited (IE) 2024-10-30 EP disclosed
US-20230286898-A1 METHOD FOR THE PURIFICATION OF VILANTEROL TRIFENATATE INKE, S.A. (ES) 2023-09-14 US disclosed
WO-2023118833-A1 PROCESS TO PREPARE VILANTEROL TRIFENATATE HOVIONE SCIENTIA LIMITED (IE) 2023-06-29 WO disclosed
WO-2023118833-A1 PROCESS TO PREPARE VILANTEROL TRIFENATATE HOVIONE SCIENTIA LIMITED (IE) 2023-06-29 WO disclosed
US-11414374-B2 Crystalline forms of vilanterol trifenatate and processes for their preparation HOVIONE SCIENTIA LIMITED (IE) 2022-08-16 US disclosed
US-20090068273-A1 Inhalation devices for delivering phenethanolamine derivatives for the treatment of respiratory diseases GLAXO GROUP LIMITED (GB) 2009-03-12 US disclosed
EP-1425001-B1 PHENETHANOLAMINE DERIVATIVES FOR TREATMENT OF RESPIRATORY DISEASES GLAXO GROUP LTD (GB) 2008-12-17 EP disclosed
US-7439393-B2 Phenethanolamine derivatives for treatment of respiratory diseases GLAXO GROUP LIMITED (GB) 2008-10-21 US disclosed
US-7361787-B2 Phenethanolamine derivatives for treatment of respiratory diseases GLAXO GROUP LIMITED (GB) 2008-04-22 US disclosed
US-20080003290-A1 Phenethanolamine Derivatives for Treatment of Respiratory Diseases GLAXO GROUP LIMITED (GB) 2008-01-03 US disclosed
US-20050075394-A1 Phenethanolamine derivatives for treatment of respiratory diseases GLAXO GROUP LIMITED (GB) 2005-04-07 US disclosed
EP-1425001-A1 PHENETHANOLAMINE DERIVATIVES FOR TREATMENT OF RESPIRATORY DISEASES GLAXO GROUP LIMITED (GB) 2004-06-09 EP disclosed
WO-2003024439-A1 PHENETHANOLAMINE DERIVATIVES FOR TREATMENT OF RESPIRATORY DISEASES GLAXO GROUP LIMITED (GB) 2003-03-27 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 (8 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-20250051261-A1 Process to Prepare Vilanterol Trifenatate AVPR2, CYP2D6, AVPR1B ADRB2 145/4885ADRB1 144/4885MLNR 87/4885
US-20080003290-A1 Phenethanolamine Derivatives for Treatment of Respiratory Diseases PHOSPHO1, PNMT, PEBP1 ADRB2 89/4885ADRB1 125/4885MLNR 1160/4885
US-20110269970-A1 Phenethanolamine Derivatives for Treatment of Respiratory Diseases PNMT, HRH2, CHKB ADRB2 53/4885ADRB1 101/4885MLNR 261/4885
US-20110009631-A1 Phenethanolamine Derivatives for Treatment of Respiratory Diseases PHOSPHO1, PNMT, PEBP1 ADRB2 265/4885ADRB1 806/4885MLNR 1268/4885
US-20050075394-A1 Phenethanolamine derivatives for treatment of respiratory diseases PHOSPHO1, PNMT, PEBP1 ADRB2 89/4885ADRB1 192/4885MLNR 988/4885
US-20230286898-A1 METHOD FOR THE PURIFICATION OF VILANTEROL TRIFENATATE MAP2K5, MAP2K7, MAP2K1 ADRB2 1903/4885ADRB1 1740/4885MLNR 816/4885
US-20090068273-A1 Inhalation devices for delivering phenethanolamine derivatives for the treatment of respiratory diseases PNMT, CHRM3, HRH4 ADRB2 18/4885ADRB1 37/4885MLNR 732/4885
US-11414374-B2 Crystalline forms of vilanterol trifenatate and processes for their preparation PRKCD, PRKCQ, CYP24A1 ADRB2 131/4885ADRB1 334/4885MLNR 1529/4885

“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.