SCHEMBL5124864

SCHEMBL5124864

O=C(O)c1ccc(OCCCc2ccc(OCCCC3CCCCC3)cc2)c(CC(=O)N2CCC(C(=O)O)CC2)c1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 2/20 0.48
HRH3 Q9Y5N1 2/20 0.41
S1PR1 P21453 1/20 0.40
S1PR5 Q9H228 2/20 0.40
POLB P06746 1/20 0.39
ITGB3 P05106 1/20 0.38
ITGA2B P08514 1/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PTGES O14684 1/20 0.38
ALOX5 P09917 1/20 0.38
NMT2 O60551 2/20 0.37
NMT1 P30419 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
LTA4H P09960 1/20 0.37

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
SCHEMBL5155579 0.90 CYSLTR2 (0.44) CYSLTR2HRH3ITGB3ITGA2BPTGES
SCHEMBL14131825 0.90 CYSLTR2 (0.60) CYSLTR2HRH3S1PR1S1PR5POLB
SCHEMBL4521187 0.87 CYSLTR2 (0.55) CYSLTR2HRH3S1PR1S1PR5ITGB3
SCHEMBL5125683 0.83 CYSLTR2 (0.61) CYSLTR2HRH3S1PR1S1PR5MEN1
SCHEMBL13918423 0.83 CYSLTR2 (0.55) CYSLTR2HRH3S1PR1S1PR5NPC1
SCHEMBL5115310 0.83 ALDH1A1 (0.44) HRH3NPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL5118889 0.83 CYSLTR2 (0.59) CYSLTR2HRH3ITGB3ITGA2BALDH1A1
SCHEMBL5125546 0.82 CYSLTR2 (0.43) CYSLTR2S1PR1S1PR5POLBNPC1
SCHEMBL5125895 0.82 CYSLTR2 (0.65) CYSLTR2ITGB3ITGA2BALDH1A1SMN1; SMN2
SCHEMBL5110467 0.82 CYSLTR2 (0.60) CYSLTR2HRH3S1PR1S1PR5ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080176898-A1 Leukotriene antagonists; cardiovascular disorders like unstable angina pectoris or myocardial infarction; Methyl 1-{[5-(ethoxycarbonyl)-2-(3-{4-[(4-isopropoxybenzyl)oxy]phenyl}propoxy)phenyl]-acetyl}piperidine-4-carboxylate BAYER HEALTHCARE AG (DE) 2008-07-24 US disclosed
US-20080176898-A1 Leukotriene antagonists; cardiovascular disorders like unstable angina pectoris or myocardial infarction; Methyl 1-{[5-(ethoxycarbonyl)-2-(3-{4-[(4-isopropoxybenzyl)oxy]phenyl}propoxy)phenyl]-acetyl}piperidine-4-carboxylate BAYER HEALTHCARE AG (DE) 2008-07-24 US disclosed
US-20080176898-A1 Leukotriene antagonists; cardiovascular disorders like unstable angina pectoris or myocardial infarction; Methyl 1-{[5-(ethoxycarbonyl)-2-(3-{4-[(4-isopropoxybenzyl)oxy]phenyl}propoxy)phenyl]-acetyl}piperidine-4-carboxylate BAYER HEALTHCARE AG (DE) 2008-07-24 US disclosed
EP-1740540-A1 PHENYL ACETAMIDES Bayer HealthCare AG (DE) 2007-01-10 EP disclosed
WO-2005103001-A1 PHENYL ACETAMIDES BAYER HEALTHCARE AG (DE) 2005-11-03 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 (1 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-20080176898-A1 Leukotriene antagonists; cardiovascular disorders like unstable angina pectoris or myocardial infarction; Methyl 1-{[5-(ethoxycarbonyl)-2-(3-{4-[(4-isopropoxybenzyl)oxy]phenyl}propoxy)phenyl]-acetyl}piperidine-4-carboxylate LTC4S, LTB4R2, LTB4R CYSLTR2 4/4885HRH3 1299/4885S1PR1 308/4885

“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.