SCHEMBL1544536

SCHEMBL1544536

COC(=O)c1coc(-c2cccc(Cl)c2)n1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 7/20 0.50
HDAC8 Q9BY41 7/20 0.50
HDAC6 Q9UBN7 7/20 0.50
PDE4B Q07343 3/20 0.47
SLC6A3 Q01959 4/20 0.47
ADRB2 P07550 1/20 0.47
ADRB1 P08588 1/20 0.47
ADRB3 P13945 1/20 0.47
TP53 P04637 1/20 0.46
SLC6A2 P23975 1/20 0.46
FFAR1 O14842 1/20 0.46
NOTUM Q6P988 1/20 0.45
ALDH1A1 P00352 1/20 0.44
IKBKB O14920 1/20 0.44

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
SCHEMBL12377852 0.85 HDAC1 (0.51) HDAC1HDAC8HDAC6PDE4BTP53
SCHEMBL6437647 0.84 HDAC1 (0.48) HDAC1HDAC8HDAC6PDE4BALDH1A1
SCHEMBL3912093 0.84 HDAC1 (0.50) HDAC1HDAC8HDAC6PDE4BALDH1A1
SCHEMBL12522679 0.84 HDAC1 (0.53) HDAC1HDAC8HDAC6PDE4BALDH1A1
SCHEMBL2868465 0.83 ADRB2 (0.55) HDAC1HDAC8HDAC6PDE4BADRB2
SCHEMBL17487352 0.83 HDAC1 (0.67) HDAC1HDAC8HDAC6PDE4BSLC6A3
SCHEMBL6386434 0.83 HDAC1 (0.65) HDAC1HDAC8HDAC6PDE4BALDH1A1
SCHEMBL6438024 0.83 HDAC1 (0.52) HDAC1HDAC8HDAC6PDE4BALDH1A1
SCHEMBL29215373 0.82 PLAU (0.49) SLC6A3TP53SLC6A2FFAR1
SCHEMBL3436219 0.80 HDAC1 (0.45) HDAC1HDAC8HDAC6PDE4BALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2311830-A1 Additional heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists AstraZeneca AB (SE) 2011-04-20 EP disclosed
EP-1723144-B1 ADDITIONAL HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2010-10-06 EP disclosed
US-7585881-B2 Additional heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB (SE) 2009-09-08 US disclosed
US-20080312246-A1 Substituted Piperazines as Metabotropic Glutamate Receptor Antagonists ASTRAZENECA AB (SE) 2008-12-18 US disclosed
US-20080312246-A1 Substituted Piperazines as Metabotropic Glutamate Receptor Antagonists ASTRAZENECA AB (SE) 2008-12-18 US disclosed
US-7456200-B2 Compounds ASTRAZENECA AB (SE) 2008-11-25 US disclosed
CN-101287722-A Substituted piperazines as metabotropic glutamate receptor antagonists ASTRAZENECA AB (SE) 2008-10-15 CN disclosed
EP-1919901-A1 SUBSTITUTED PIPERAZINES AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS AstraZeneca AB (SE) 2008-05-14 EP disclosed
US-20080045571-A1 ADDITIONAL HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2008-02-21 US disclosed
US-20080015234-A1 ADDITIONAL HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2008-01-17 US disclosed
WO-2007021573-A1 SUBSTITUTED PIPERAZINES AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2007-02-22 WO disclosed
US-20070037820-A1 Substituted piperazines as metabotropic glutamate receptor antagonists ASTRAZENECA AB (SE) 2007-02-15 US disclosed
US-20070037820-A1 Substituted piperazines as metabotropic glutamate receptor antagonists ASTRAZENECA AB (SE) 2007-02-15 US disclosed
EP-1723144-A1 ADDITIONAL HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS AstraZeneca AB (SE) 2006-11-22 EP disclosed
US-20060122397-A1 Exhibiting an activity at metabotropic glutamate receptors (mGluRs), especially at the mGluR5 receptor; neurological disorders, psychiatric disorders, acute and chronic pain ASTRAZENECA AB (SE) 2006-06-08 US disclosed
WO-2006014185-A1 ADDITIONAL HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2006-02-09 WO disclosed
US-20050272779-A1 Additional heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB 2005-12-08 US disclosed
EP-1529045-A2 NEW COMPOUNDS Astra Zeneca AB (SE) 2005-05-11 EP disclosed
US-20040152699-A1 Compounds ASTRAZENECA AND NPS PHARMACEUTICALS, INC. 2004-08-05 US disclosed
WO-2004014881-A2 '1,2,4'OXADIAZOLES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 ASTRA ZENECA AB (SE) 2004-02-19 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 (7 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-20040152699-A1 Compounds SDHA, CYP11B2, CYP11B1 HDAC1 1961/4885HDAC8 3324/4885HDAC6 819/4885
US-20080015234-A1 ADDITIONAL HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS GRM5, GRIK5, GRM2 HDAC1 1030/4885HDAC8 1063/4885HDAC6 620/4885
US-20060122397-A1 Exhibiting an activity at metabotropic glutamate receptors (mGluRs), especially at the mGluR5 receptor; neurological disorders, psychiatric disorders, acute and chronic pain GRM5, GRIK5, GRM1 HDAC1 1084/4885HDAC8 1730/4885HDAC6 1123/4885
US-20050272779-A1 Additional heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists GRM5, GRIK5, GRM2 HDAC1 1030/4885HDAC8 1063/4885HDAC6 620/4885
US-20080045571-A1 ADDITIONAL HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS GRM5, GRIK5, GRM2 HDAC1 1030/4885HDAC8 1063/4885HDAC6 620/4885
US-20080312246-A1 Substituted Piperazines as Metabotropic Glutamate Receptor Antagonists GRM5, GRM1, GRM2 HDAC1 970/4885HDAC8 1654/4885HDAC6 771/4885
US-20070037820-A1 Substituted piperazines as metabotropic glutamate receptor antagonists GRM5, GRM1, GRM2 HDAC1 970/4885HDAC8 1654/4885HDAC6 771/4885

“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.