SCHEMBL2774422

SCHEMBL2774422

N#Cc1cccc(COCCO)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.48
FFAR4 Q5NUL3 1/20 0.48
MRGPRX4 Q96LA9 2/20 0.48
MAOB P27338 4/20 0.43
GLA P06280 1/20 0.42
KCNH2 Q12809 1/20 0.42
GSK3B P49841 1/20 0.41
MEP1A Q16819 1/20 0.41
MEP1B Q16820 1/20 0.41
SCN8A Q9UQD0 1/20 0.41
MAOA P21397 2/20 0.40
CYP19A1 P11511 1/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
VNN1 O95497 1/20 0.40
SPHK2 Q9NRA0 1/20 0.40
SPHK1 Q9NYA1 1/20 0.40
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40

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
SCHEMBL20551473 0.90 MRGPRX4 (0.53) FFAR1FFAR4MRGPRX4MAOBGLA
SCHEMBL6668868 0.86 MRGPRX4 (0.55) FFAR1FFAR4MRGPRX4MAOBGLA
SCHEMBL5986932 0.83 MRGPRX4 (0.48) FFAR1FFAR4MRGPRX4MAOBGLA
SCHEMBL4165417 0.83 MRGPRX4 (0.48) FFAR1FFAR4MRGPRX4MAOBGLA
SCHEMBL2773842 0.82 GLA (0.48) FFAR1FFAR4MRGPRX4MAOBGLA
SCHEMBL30807351 0.82 GLA (0.48) FFAR1FFAR4MRGPRX4MAOBGLA
SCHEMBL4156612 0.82 FFAR1 (0.57) FFAR1FFAR4MRGPRX4MAOBKCNH2
SCHEMBL20485056 0.82 TSHR (0.42) MRGPRX4CYP4F2CYP4A11
SCHEMBL22469683 0.81 TSHR (0.56) FFAR1FFAR4MRGPRX4MAOBGLA
SCHEMBL31568453 0.81 TSHR (0.56) FFAR1FFAR4MRGPRX4MAOBGLA

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
EP-2193125-B1 OXADIAZOLE DERIVATIVES MERCK SERONO SA (CH) 2017-01-11 EP disclosed
US-8202865-B2 Oxadiazole derivatives MERCK SERONO SA (CH) 2012-06-19 US disclosed
US-20100240658-A1 Oxadiazole Derivatives MERCK SERONO SA (CH) 2010-09-23 US disclosed
EP-2193125-A2 OXADIAZOLE DERIVATIVES Merck Serono S.A. (CH) 2010-06-09 EP disclosed
US-20090105309-A1 Medicinal Compounds GLAXO GROUP LIMITED (GB) 2009-04-23 US disclosed
WO-2009043889-A2 OXADIAZOLE DERIVATIVES MERCK SERONO S.A. (CH) 2009-04-09 WO 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
US-20070135490-A1 Phenetanolamine derivatives GLAXO GROUP LIMITED (GB) 2007-06-14 US disclosed
EP-1675821-A1 PHENETANOLAMINE DERIVATIVES GLAXO GROUP LIMITED (GB) 2006-07-05 EP 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-2005044787-A1 PHENETANOLAMINE DERIVATIVES GLAXO GROUP LIMITED (GB) 2005-05-19 WO 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 (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-20100240658-A1 Oxadiazole Derivatives OXA1L, RO60, NQO2 FFAR1 2906/4885FFAR4 3301/4885MRGPRX4 1096/4885
US-20050256201-A1 Phenethanolamine derivatives PNMT, PHOSPHO1, NAPEPLD FFAR1 1108/4885FFAR4 1470/4885MRGPRX4 753/4885
US-20070135490-A1 Phenetanolamine derivatives ADRB2, ADRB1, ADRB3 FFAR1 318/4885FFAR4 604/4885MRGPRX4 119/4885
US-20090105309-A1 Medicinal Compounds ADRB2, ADRB1, ADRB3 FFAR1 264/4885FFAR4 498/4885MRGPRX4 70/4885

“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.