SCHEMBL5114026

SCHEMBL5114026

Cn1c(C(=O)O)cc2cccc(Oc3ccnc(CN4CCOCC4)n3)c21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 2/20 0.37
KMO O15229 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 2/20 0.36
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
TSHR P16473 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CCR2 P41597 1/20 0.36
RXFP1 Q9HBX9 1/20 0.35
MOK Q9UQ07 1/20 0.35
ALB P02768 1/20 0.35
MCL1 Q07820 1/20 0.35
KDM5A P29375 1/20 0.35
KDM5B Q9UGL1 1/20 0.35
TDP1 Q9NUW8 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
SCHEMBL5118314 0.92 KDM4E (0.38) KMOMEN1KMT2AKDM4ETSHR
SCHEMBL5125545 0.92 TMEM97 (0.36) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL5124540 0.91 CHRM5 (0.36) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL5118110 0.88 CCR9 (0.34) MEN1KMT2AKDM4EUSP2ALDH1A1
SCHEMBL5110937 0.88 MEN1 (0.42) KMOMEN1KMT2AKDM4ETSHR
SCHEMBL5681285 0.86 GSK3A (0.41) KDM4EMAPTTDP1SRCSYK
SCHEMBL5681281 0.85 GSK3A (0.41) SRCSYKGSK3A
SCHEMBL5110834 0.84 MKNK1 (0.46) MEN1KMT2AKDM4ECASP7RXFP1
SCHEMBL5111483 0.84 SLC6A4 (0.38) KMOKDM4EALDH1A1TSHRCCR2
SCHEMBL5110935 0.83 HRH3 (0.35) KMT2AKDM4EALDH1A1MAPTMCL1

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-7335657-B2 Cytokine inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2008-02-26 US claimed
US-20060235017-A1 Cytokine Inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-10-19 US claimed
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-7335657-B2 Cytokine inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2008-02-26 US disclosed
US-20060235017-A1 Cytokine Inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-10-19 US disclosed
US-7078419-B2 N-aryl-7-(pyridin-4yl-methyl-, oxy-, thio-or amino-)indole-2-carbonamide derivatives, e.g., 7-(2,6-Dimethyl-pyridin-4-yloxy)-1H-indole-2-carboxylic acid (5-tert-butyl-3-methanesulfonylamino-2-methoxy-phenyl)-amide; treating chronic inflammatory diseases and anticoagulant or fibrinolytic therapy BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-07-18 US disclosed
EP-1631567-A2 HETEROCYCLIC N-ARYL CARBOXAMIDES AS CYTOKINE INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2006-03-08 EP disclosed
WO-2005016918-A2 HETEROCYCLIC N-ARYL CARBOXAMIDES AS CYTOKINE INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-02-24 WO disclosed
US-20040186114-A1 Cytokine inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2004-09-23 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 (3 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 MET 4698/4885KMO 823/4885MEN1 4745/4885
US-20040186114-A1 Cytokine inhibitors IL1A, IL1B, IL1R1 MET 2715/4885KMO 1029/4885MEN1 2239/4885
US-20060235017-A1 Cytokine Inhibitors IL1B, IL1A, IL1R1 MET 2965/4885KMO 953/4885MEN1 1869/4885

“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.