SCHEMBL4161097

SCHEMBL4161097

O=C(CBr)c1ccc(OCc2ccccc2)c(F)c1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.53
HPGD P15428 1/20 0.53
RAB9A P51151 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
MRGPRX4 Q96LA9 5/20 0.52
PTGER1 P34995 1/20 0.51
S1PR5 Q9H228 1/20 0.50
EGFR P00533 1/20 0.48
FOLH1 Q04609 1/20 0.47
SMPD1 P17405 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
PTPN1 P18031 2/20 0.45
GSK3B P49841 1/20 0.45
BRD4 O60885 1/20 0.45

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
SCHEMBL9341900 0.87 NPC1 (0.54) NPC1HPGDRAB9ASMN1; SMN2MRGPRX4
SCHEMBL8356708 0.87 NPC1 (0.64) NPC1HPGDRAB9ASMN1; SMN2EGFR
SCHEMBL5457607 0.86 MRGPRX4 (0.54) NPC1HPGDRAB9ASMN1; SMN2MRGPRX4
SCHEMBL229472 0.85 MRGPRX4 (0.69) HPGDRAB9AMRGPRX4PTGER1S1PR5
SCHEMBL6808366 0.85 EGFR (0.53) NPC1HPGDRAB9ASMN1; SMN2MRGPRX4
SCHEMBL10604837 0.84 EGFR (0.65) NPC1HPGDRAB9ASMN1; SMN2EGFR
SCHEMBL4295650 0.84 FOLH1 (0.62) NPC1HPGDRAB9ASMN1; SMN2PTGER1
SCHEMBL28979208 0.83 NPC1 (0.53) NPC1HPGDRAB9ASMN1; SMN2EGFR
SCHEMBL1437989 0.83 FFAR4 (0.58) NPC1HPGDRAB9ASMN1; SMN2MRGPRX4
SCHEMBL5468617 0.83 MRGPRX4 (0.57) NPC1HPGDRAB9ASMN1; SMN2MRGPRX4

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 20 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
EP-1675823-A1 MEDICINAL COMPOUNDS GLAXO GROUP LIMITED (GB) 2006-07-05 EP disclosed
US-20060111344-A1 Arylethanolamine beta2-adrenoreceptor agonist compounds GLAXO GROUP LIMITED (GB) 2006-05-25 US 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
WO-2005040103-A1 MEDICINAL COMPOUNDS GLAXO GROUP LIMITED (GB) 2005-05-06 WO 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
US-4908386-A Pharmaceuticals GLAXO GROUP LIMITED (GB) 1990-03-13 US disclosed
EP-0220054-A2 Ethanolamine derivatives GLAXO GROUP LIMITED (GB) 1987-04-29 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 (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 NPC1 953/4885HPGD 1207/4885RAB9A 3136/4885
US-20060205794-A1 Phenethanolamine derivative for the treatment of respiratory diseases PHOSPHO1, PNMT, NAPEPLD NPC1 1249/4885HPGD 337/4885RAB9A 1770/4885
US-20060205790-A1 Medicinal arylethanolamine compounds NAT1, AADAC, AHR NPC1 292/4885HPGD 400/4885RAB9A 1985/4885
US-20090105309-A1 Medicinal Compounds ADRB2, ADRB1, ADRB3 NPC1 875/4885HPGD 114/4885RAB9A 2802/4885

“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.