SCHEMBL4156612

SCHEMBL4156612

N#Cc1cccc(COCCOc2ccc(CCO)cc2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.57
FFAR4 Q5NUL3 1/20 0.57
MAOB P27338 4/20 0.46
KCNH2 Q12809 1/20 0.43
MRGPRX4 Q96LA9 1/20 0.42
MAOA P21397 2/20 0.41
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPK1 P28482 1/20 0.41
CASP1 P29466 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SLCO1B3 Q9NPD5 1/20 0.41
SLCO1B1 Q9Y6L6 1/20 0.41
CYP4F2 P78329 2/20 0.41
CYP4A11 Q02928 2/20 0.41
SPHK2 Q9NRA0 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
SCHEMBL4158480 0.87 FFAR1 (0.54) FFAR1FFAR4MAOBKCNH2MRGPRX4
SCHEMBL2774422 0.82 FFAR1 (0.48) FFAR1FFAR4MAOBKCNH2MRGPRX4
SCHEMBL20551473 0.82 MRGPRX4 (0.53) FFAR1FFAR4MAOBKCNH2MRGPRX4
SCHEMBL5281523 0.81 FFAR1 (0.51) FFAR1FFAR4MAOBKCNH2MRGPRX4
SCHEMBL4167946 0.81 LTA4H (0.59) FFAR1FFAR4MEN1USP2ALDH1A1
SCHEMBL9627314 0.80 FFAR1 (0.68) FFAR1FFAR4MAOBKCNH2MRGPRX4
SCHEMBL320197 0.77 HRH3 (0.49) FFAR1FFAR4KCNH2MRGPRX4MEN1
SCHEMBL6668868 0.75 MRGPRX4 (0.55) FFAR1FFAR4MAOBKCNH2MRGPRX4
SCHEMBL30807351 0.75 GLA (0.48) FFAR1FFAR4MAOBMRGPRX4MAOA
SCHEMBL2773842 0.75 GLA (0.48) FFAR1FFAR4MAOBMRGPRX4MAOA

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 9 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
EP-1675823-B1 PHENETHANOLAMINE DERIVATIVES FOR THE TREATMENT OF RESPIRATORY DISEASES GLAXO GROUP LTD (GB) 2008-07-23 EP disclosed
EP-1497261-B1 PHENETHANOLAMINE DERIVATIVES GLAXO GROUP LTD (GB) 2007-12-19 EP disclosed
US-7271197-B2 Phenethanolamine derivatives GLAXO GROUP LIMITED (GB) 2007-09-18 US disclosed
EP-1675823-A1 MEDICINAL COMPOUNDS GLAXO GROUP LIMITED (GB) 2006-07-05 EP disclosed
US-20050256201-A1 Phenethanolamine derivatives GLAXO GROUP LIMITED 2005-11-17 US disclosed
WO-2005040103-A1 MEDICINAL COMPOUNDS GLAXO GROUP LIMITED (GB) 2005-05-06 WO disclosed
EP-1497261-A1 PHENETHANOLAMINE DERIVATIVES GLAXO GROUP LIMITED (GB) 2005-01-19 EP disclosed
WO-2003091204-A1 PHENETHANOLAMINE DERIVATIVES GLAXO GROUP LIMITED (GB) 2003-11-06 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 (2 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-20050256201-A1 Phenethanolamine derivatives PNMT, PHOSPHO1, NAPEPLD FFAR1 1108/4885FFAR4 1470/4885MAOB 371/4885
US-20090105309-A1 Medicinal Compounds ADRB2, ADRB1, ADRB3 FFAR1 264/4885FFAR4 498/4885MAOB 432/4885

“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.