SCHEMBL795626

SCHEMBL795626

COc1cc(C)nc(O[C@H](C(=O)O)C(OCCO)(c2ccccc2)c2ccccc2)n1

nearest known ligand 0.77

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 19/20 0.77
EDNRA P25101 19/20 0.77
NR1I2 O75469 1/20 0.64
KCNE1 P15382 1/20 0.64
KCNQ1 P51787 1/20 0.64
POLB P06746 1/20 0.64

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
SCHEMBL6561931 1.00 EDNRB (0.77) EDNRBEDNRANR1I2KCNE1KCNQ1
SCHEMBL7252235 0.90 EDNRB (0.89) EDNRBEDNRAPOLB
SCHEMBL7245599 0.88 EDNRB (0.80) EDNRBEDNRA
SCHEMBL13065289 0.87 EDNRB (0.70) EDNRBEDNRANR1I2KCNE1KCNQ1
SCHEMBL7245146 0.87 EDNRB (0.88) EDNRBEDNRA
SCHEMBL7934042 0.87 EDNRB (1.00) EDNRBEDNRANR1I2KCNE1KCNQ1
SCHEMBL7252229 0.86 EDNRB (1.00) EDNRBEDNRA
SCHEMBL6561863 0.86 EDNRB (0.74) EDNRBEDNRANR1I2KCNE1KCNQ1
SCHEMBL7247503 0.86 EDNRB (0.70) EDNRBEDNRA
SCHEMBL7246781 0.86 EDNRB (0.86) EDNRBEDNRA

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10828368-B2 Therapeutic treatments using centhaquin MIDWESTERN UNIVERSITY (US) 2020-11-10 US disclosed
US-20180085461-A1 Novel Therapeutic Treatments Using Centhaquin MIDWESTERN UNIVERISTY 2018-03-29 US disclosed
US-20180085461-A1 Novel Therapeutic Treatments Using Centhaquin MIDWESTERN UNIVERISTY 2018-03-29 US disclosed
EP-2424530-B1 METHOD AND COMPOSITION FOR TREATING DIABETIC KETOACIDOSIS UNIV MIDWESTERN (US) 2015-12-16 EP disclosed
US-8980874-B2 Method and composition for treating diabetic ketoacidosis MIDWESTERN UNIVERSITY (US) 2015-03-17 US disclosed
US-8980874-B2 Method and composition for treating diabetic ketoacidosis MIDWESTERN UNIVERSITY (US) 2015-03-17 US disclosed
US-8980222-B2 Diagnostic use of endothelin ETB receptor agonists and ETA receptor antagonists in tumor imaging THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2015-03-17 US disclosed
US-8980222-B2 Diagnostic use of endothelin ETB receptor agonists and ETA receptor antagonists in tumor imaging THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2015-03-17 US disclosed
US-20130225531-A1 METHOD AND COMPOSITION FOR TREATING ALZHEIMER'S DISEASE AND DEMENTIAS OF VASCULAR ORIGIN THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2013-08-29 US disclosed
US-20130225531-A1 METHOD AND COMPOSITION FOR TREATING ALZHEIMER'S DISEASE AND DEMENTIAS OF VASCULAR ORIGIN THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2013-08-29 US disclosed
US-20100184725-A1 Method and Composition for Treating Alzheimer's Disease and Dementias of Vascular Origin THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2010-07-22 US disclosed
US-20100184725-A1 Method and Composition for Treating Alzheimer's Disease and Dementias of Vascular Origin THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2010-07-22 US disclosed
US-20100173872-A1 Method and Composition for Treating Alzheimer's Disease and Dementias of Vascular Origin THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2010-07-08 US disclosed
US-20100173872-A1 Method and Composition for Treating Alzheimer's Disease and Dementias of Vascular Origin THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2010-07-08 US disclosed
US-20100113396-A1 Method and Composition for Potentiating an Opiate Analgesic THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2010-05-06 US disclosed
US-20100113396-A1 Method and Composition for Potentiating an Opiate Analgesic THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2010-05-06 US disclosed
US-20080260634-A1 Diagnostic Use of Endothelin Etb Receptor Agonists and Eta Receptor Antagonists in Tumor Imaging DONEHEW FUND LIMITED PARTNERSHIP 2008-10-23 US disclosed
US-20080260634-A1 Diagnostic Use of Endothelin Etb Receptor Agonists and Eta Receptor Antagonists in Tumor Imaging DONEHEW FUND LIMITED PARTNERSHIP 2008-10-23 US disclosed
US-20080207763-A1 Method and Composition for Potentiating the Antipyretic Action of a Nonopiod Analgesic UNIVERSITY OF ILLINOIS CHICAGO (US) 2008-08-28 US disclosed
US-20080207763-A1 Method and Composition for Potentiating the Antipyretic Action of a Nonopiod Analgesic UNIVERSITY OF ILLINOIS CHICAGO (US) 2008-08-28 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 (8 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-10828368-B2 Therapeutic treatments using centhaquin ADRA2A, ADRB3, HSPH1 EDNRB 502/4885EDNRA 429/4885NR1I2 1826/4885
US-20100184725-A1 Method and Composition for Treating Alzheimer's Disease and Dementias of Vascular Origin PSEN1, PSEN2, CHAT EDNRB 7/4885EDNRA 11/4885NR1I2 2621/4885
US-20100113396-A1 Method and Composition for Potentiating an Opiate Analgesic OPRK1, OPRL1, OPRM1 EDNRB 8/4885EDNRA 6/4885NR1I2 2143/4885
US-20080260634-A1 Diagnostic Use of Endothelin Etb Receptor Agonists and Eta Receptor Antagonists in Tumor Imaging EDNRB, EDNRA, ECE1 EDNRB 1/4885EDNRA 2/4885NR1I2 1031/4885
US-20080207763-A1 Method and Composition for Potentiating the Antipyretic Action of a Nonopiod Analgesic COX15, PTGER3, PTGER4 EDNRB 8/4885EDNRA 11/4885NR1I2 2134/4885
US-20100173872-A1 Method and Composition for Treating Alzheimer's Disease and Dementias of Vascular Origin PSEN1, PSEN2, CHAT EDNRB 7/4885EDNRA 11/4885NR1I2 2621/4885
US-20130225531-A1 METHOD AND COMPOSITION FOR TREATING ALZHEIMER'S DISEASE AND DEMENTIAS OF VASCULAR ORIGIN PSEN1, PSEN2, CHAT EDNRB 7/4885EDNRA 11/4885NR1I2 2621/4885
US-20180085461-A1 Novel Therapeutic Treatments Using Centhaquin ADRB3, ADRA2A, ADRB2 EDNRB 148/4885EDNRA 141/4885NR1I2 1751/4885

“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.