SCHEMBL4012482

SCHEMBL4012482

C[C@H](Cc1cccc(CC(=O)O)c1)NC[C@H](O[Si](C)(C)C(C)(C)C)c1ccc(OCc2ccccc2)c(CO)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 7/20 0.45
ADRB3 P13945 1/20 0.38
ELANE P08246 4/20 0.37
F2 P00734 1/20 0.37
CFD P00746 3/20 0.37
F11 P03951 3/20 0.37
TPSB2 P20231 3/20 0.37
CTSG P08311 1/20 0.36
ADRA1A P35348 2/20 0.36
ADRA1D P25100 1/20 0.36
ADRA1B P35368 1/20 0.36
USP2 O75604 2/20 0.35
CYP3A4 P08684 2/20 0.35
NR1I2 O75469 1/20 0.35
ADRB1 P08588 1/20 0.35
HTR1A P08908 1/20 0.35
ADRA2A P08913 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35

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
SCHEMBL4012487 1.00 ADRB2 (0.45) ADRB2ADRB3ELANEF2CFD
SCHEMBL13589427 0.94 ADRB2 (0.44) ADRB2ADRB3ELANEF2CTSG
SCHEMBL4256670 0.92 ADRB2 (0.41) ADRB2ADRB3ELANEF2CTSG
SCHEMBL4256666 0.90 ADRB3 (0.39) ADRB2ADRB3ELANEF2CFD
SCHEMBL5998831 0.90 ADRB3 (0.39) ADRB2ADRB3ELANEF2CFD
SCHEMBL4255062 0.90 ADRB3 (0.40) ADRB2ADRB3ELANEF2CTSG
SCHEMBL4260800 0.90 ADRB3 (0.40) ADRB2ADRB3ELANEF2CTSG
SCHEMBL4256662 0.89 ADRB2 (0.40) ADRB2ADRB3ELANEF2CTSG
SCHEMBL4386734 0.89 MRGPRX4 (0.40) ADRB2ADRB3ELANEF2CTSG
SCHEMBL4386737 0.89 MRGPRX4 (0.40) ADRB2ADRB3ELANEF2CTSG

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1624868-B9 \"(2-HYDROXY-2-(4-HYDROXY-3-HYDOXYMETHYLPHENYL)-ETHYLAMINO)- PROPYL]PHENYL DERIVATIVES AS BETA2 AGONISTS PFIZER LTD (GB) 2009-08-12 EP disclosed
US-7482487-B2 Phenylaminoethanol derivatives as β2 receptor agonists PFIZER INC (US) 2009-01-27 US disclosed
EP-1624868-B1 \"(2-HYDROXY-2-(4-HYDROXY-3-HYDOXYMETHYLPHENYL)-ETHYLAMINO)- PROPYL]PHENYL DERIVATIVES AS BETA2 AGONISTS PFIZER LTD (GB) 2008-11-12 EP disclosed
US-20070264262-A1 Phenylaminoethanol Derivates as Beta 2 Receptor Agonists BROWN ALAN D 2007-11-15 US disclosed
US-7268147-B2 Compounds useful for the treatment of diseases PFIZER INC (US) 2007-09-11 US disclosed
EP-1727789-A2 PHENYLETHANOLAMINE DERIVATIVES AS BETA-2 AGONISTS Pfizer Limited (GB) 2006-12-06 EP disclosed
WO-2006051373-A1 COMPOUNDS FOR THE TREATMENT OF DISEASES PFIZER LIMITED (GB) 2006-05-18 WO disclosed
US-20060106107-A1 L-tartrate salt of N-1-Adamantyl-2-{3-[(2R)-2-({(2R)-2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl}amino)propyl] phenyl}acetamide JAMES KIM 2006-05-18 US disclosed
WO-2005090287-A2 PHENYLETHANOLAMINE DERIVATIVES AS BETA-2 AGONISTS PFIZER LIMITED (GB) 2005-09-29 WO disclosed
EP-1577291-A1 Phenylethanolamine derivatives as beta-2 agonists Pfizer Limited (GB) 2005-09-21 EP disclosed
EP-1577292-A1 Phenylaminoethanol derivatives as beta2 receptor agonists Pfizer Limited (GB) 2005-09-21 EP disclosed
US-20040229904-A1 Compounds useful for the treatment of diseases PFIZER INC 2004-11-18 US disclosed
EP-1477167-A1 [(2-hydroxy-2-(4-hydroxy-3-hydroxymethylphenyl)-ethylamino)-propyl] phenyl derivatives as beta2 agonists Pfizer Limited (GB) 2004-11-17 EP 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 (3 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-20060106107-A1 L-tartrate salt of N-1-Adamantyl-2-{3-[(2R)-2-({(2R)-2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl}amino)propyl] phenyl}acetamide ASPH, SLC6A12, AASDHPPT ADRB2 498/4885ADRB3 694/4885ELANE 1201/4885
US-20040229904-A1 Compounds useful for the treatment of diseases LTC4S, CYP11B1, CYP11B2 ADRB2 901/4885ADRB3 802/4885ELANE 21/4885
US-20070264262-A1 Phenylaminoethanol Derivates as Beta 2 Receptor Agonists ADRB2, ADRB1, ADRA2C ADRB2 1/4885ADRB3 5/4885ELANE 578/4885

“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.