SCHEMBL4165459

SCHEMBL4165459

NC[C@H](O)c1ccc(OCc2ccccc2)c(F)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 4/20 0.52
S1PR5 Q9H228 1/20 0.44
CTSA P10619 1/20 0.43
KDM1A O60341 2/20 0.42
ERN1 O75460 1/20 0.41
NFKB1 P19838 1/20 0.41
BLM P54132 3/20 0.41
MAPT P10636 2/20 0.41
HPGD P15428 2/20 0.41
APEX1 P27695 2/20 0.41
RECQL P46063 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
ADRB2 P07550 1/20 0.41
ADRB1 P08588 1/20 0.41
ADRA2A P08913 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
ADRB3 P13945 1/20 0.41
DRD2 P14416 1/20 0.41

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
SCHEMBL4659219 1.00 MRGPRX4 (0.52) MRGPRX4S1PR5CTSAKDM1AERN1
SCHEMBL9070525 0.87 NFKB1 (0.48) NFKB1BLMMAPTHPGDAPEX1
SCHEMBL7148513 0.87 NFKB1 (0.48) NFKB1BLMMAPTHPGDAPEX1
SCHEMBL17024332 0.83 FFAR4 (0.51) MRGPRX4NFKB1BLMMAPTTDP1
SCHEMBL17024334 0.83 MRGPRX4 (0.48) MRGPRX4S1PR5
SCHEMBL22714045 0.83 PDE4A (0.43) NFKB1BLMADRB3PMP22
SCHEMBL7916416 0.82 NFKB1 (0.57) NFKB1BLMHPGDMEN1KMT2A
SCHEMBL30352666 0.82 NFKB1 (0.57) NFKB1BLMHPGDMEN1KMT2A
SCHEMBL7153073 0.82 ELANE (0.47) NFKB1ADRB2ADRB1ADRB3DRD2
SCHEMBL4866879 0.82 ELANE (0.47) NFKB1ADRB2ADRB1ADRB3DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090105309-A1 Medicinal Compounds GLAXO GROUP LIMITED (GB) 2009-04-23 US disclosed
US-7442839-B2 Phenethanolamine derivative for the treatment of respiratory diseases GLAXO GROUP LIMITED (GB) 2008-10-28 US disclosed
EP-1675823-B1 PHENETHANOLAMINE DERIVATIVES FOR THE TREATMENT OF RESPIRATORY DISEASES GLAXO GROUP LTD (GB) 2008-07-23 EP disclosed
US-7402598-B2 Arylethanolamine β2-adrenoreceptor agonist compounds GLAXO GROUP LIMITED (GB) 2008-07-22 US disclosed
EP-1556342-B1 PHENETHANOLAMINE DERIVATIVE FOR THE TREATMENT OF RESPIRATORY DISEASES GLAXO GROUP LTD (GB) 2008-03-26 EP disclosed
EP-1554264-B1 MEDICINAL ARYLETHANOLAMINE COMPOUNDS GLAXO GROUP LTD (GB) 2007-08-08 EP disclosed
US-20060205790-A1 Medicinal arylethanolamine compounds GLAXO GROUP LIMITED (GB) 2006-09-14 US disclosed
US-20060205794-A1 Phenethanolamine derivative for the treatment of respiratory diseases GLAXO GROUP LIMITED (GB) 2006-09-14 US disclosed
US-20060111344-A1 Arylethanolamine beta2-adrenoreceptor agonist compounds GLAXO GROUP LIMITED (GB) 2006-05-25 US disclosed
CN-1732152-A Phenylethanolamine derivatives for the treatment of respiratory diseases GLAXO GROUP LTD (GB) 2006-02-08 CN disclosed
EP-1556342-A1 PHENETHANOLAMINE DERIVATIVE FOR THE TREATMENT OF RESPIRATORY DISEASES GLAXO GROUP LIMITED (GB) 2005-07-27 EP disclosed
EP-1554264-A2 MEDICINAL ARYLETHANOLAMINE COMPOUNDS GLAXO GROUP LIMITED (GB) 2005-07-20 EP disclosed
EP-1525180-A2 ARYLETHANOLAMINE BETA2-ADRENORECEPTOR AGONIST COMPOUNDS GLAXO GROUP LIMITED (GB) 2005-04-27 EP disclosed
WO-2004037807-A9 MEDICINAL ARYLETHANOLAMINE COMPOUNDS GLAXO GROUP LTD (GB) 2004-08-19 WO disclosed
WO-2004037807-A2 MEDICINAL ARYLETHANOLAMINE COMPOUNDS GLAXO GROUP LIMITED (GB) 2004-05-06 WO disclosed
WO-2004037773-A1 PHENETHANOLAMINE DERIVATIVE FOR THE TREATMENT OF RESPIRATORY DISEASES GLAXO GROUP LIMITED (GB) 2004-05-06 WO disclosed
WO-2004016578-A2 ARYLETHANOLAMINE BETA2-ADRENORECEPTOR AGONIST COMPOUNDS GLAXO GROUP LIMITED (GB) 2004-02-26 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 (4 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-20060111344-A1 Arylethanolamine beta2-adrenoreceptor agonist compounds ADRB2, ADRB1, ADRA2A MRGPRX4 106/4885S1PR5 312/4885CTSA 2030/4885
US-20060205794-A1 Phenethanolamine derivative for the treatment of respiratory diseases PHOSPHO1, PNMT, NAPEPLD MRGPRX4 525/4885S1PR5 472/4885CTSA 1151/4885
US-20060205790-A1 Medicinal arylethanolamine compounds NAT1, AADAC, AHR MRGPRX4 218/4885S1PR5 809/4885CTSA 320/4885
US-20090105309-A1 Medicinal Compounds ADRB2, ADRB1, ADRB3 MRGPRX4 70/4885S1PR5 902/4885CTSA 1726/4885

“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.