SCHEMBL5124125

SCHEMBL5124125

CC(C)Oc1ccc(COc2ccc(CCCOc3ccc(C(=O)O)cc3CC(=O)N[C@H]3CC[C@@H](C(=O)O)C3)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 2/20 0.53
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
RXRA P19793 2/20 0.37
RXRB P28702 2/20 0.37
GCK P35557 2/20 0.36
TAOK1 Q7L7X3 1/20 0.36
TAOK3 Q9H2K8 1/20 0.36
KDM1A O60341 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HPGD P15428 1/20 0.36
SLC6A5 Q9Y345 1/20 0.36
KDM4E B2RXH2 1/20 0.36
NR1H4 Q96RI1 1/20 0.35
PTGER1 P34995 1/20 0.35
PTGER4 P35408 1/20 0.35

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
SCHEMBL5146168 0.95 CYSLTR2 (0.60) CYSLTR2CNR1CNR2RXRARXRB
SCHEMBL5125966 0.85 CYSLTR2 (0.38) CYSLTR2CNR1CNR2MAOBNPC1
SCHEMBL4522096 0.84 CYSLTR2 (0.77) CYSLTR2GCKTAOK1TAOK3NPC1
SCHEMBL5125546 0.83 CYSLTR2 (0.43) CYSLTR2RXRARXRBNPC1RAB9A
SCHEMBL5111852 0.83 ALDH1A1 (0.44) CYSLTR2RXRARXRBGCKNPC1
SCHEMBL5118889 0.83 CYSLTR2 (0.59) CYSLTR2SMN1; SMN2HPGDMEN1KMT2A
SCHEMBL5111775 0.83 CYSLTR2 (0.72) CYSLTR2CNR1CNR2SMN1; SMN2HPGD
SCHEMBL5118044 0.82 KDM4E (0.44) RXRARXRBGCKKDM4E
SCHEMBL5111176 0.82 KDM4E (0.45) CYSLTR2RXRARXRBGCKKDM4E
SCHEMBL5111705 0.81 CYSLTR2 (0.43) CYSLTR2CNR1CNR2NPC1RAB9A

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 3 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

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 4/4885CNR1 348/4885CNR2 215/4885

“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.