SCHEMBL1543916

SCHEMBL1543916

Fc1ccc(Cl)cc1-c1nc(CN2CCCn3c(-c4ccco4)nnc32)no1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.46
CASP3 P42574 1/20 0.35
ADORA2A P29274 2/20 0.33
MAOB P27338 1/20 0.33
ALDH1A1 P00352 4/20 0.32
KMT2A Q03164 3/20 0.32
MAPK1 P28482 3/20 0.32
ALOX15 P16050 2/20 0.32
MEN1 O00255 2/20 0.32
TSHR P16473 2/20 0.32
LMNA P02545 2/20 0.32
KDM4E B2RXH2 2/20 0.32
HSD17B10 Q99714 2/20 0.32
USP2 O75604 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
PTGS2 P35354 1/20 0.32
PSEN1 P49768 2/20 0.32
PSEN2 P49810 2/20 0.32
APH1B Q8WW43 2/20 0.32
NCSTN Q92542 2/20 0.32

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
SCHEMBL4333880 0.86 MAPT (0.36) KCNH2CASP3ADORA2AMAOBALDH1A1
SCHEMBL1543878 0.85 KCNH2 (0.48) KCNH2ADORA2AMAOBALDH1A1KMT2A
SCHEMBL4329314 0.83 KCNH2 (0.48) KCNH2ADORA2AMAOBALDH1A1KMT2A
SCHEMBL1544722 0.73 LMNA (0.57) ALDH1A1KMT2AMEN1TSHRLMNA
SCHEMBL4336808 0.73 MAPT (0.38) KCNH2MAOBMAPK1TSHRL3MBTL1
SCHEMBL1543979 0.72 ALDH1A1 (0.60) KCNH2ALDH1A1KMT2AMAPK1MEN1
SCHEMBL1544442 0.72 KCNH2 (0.47) KCNH2MAOBTSHRL3MBTL1MAPT
SCHEMBL5478892 0.71 MAPT (0.40) KCNH2ADORA2AMAOBKMT2AMAPK1
SCHEMBL5482293 0.70 P2RX7 (0.40) KCNH2MAOBTSHRUSP2MAPT
SCHEMBL4327916 0.70 KCNH2 (0.47) KCNH2MAOBTSHRL3MBTL1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1716152-B1 FUSED HETROCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC RECEPTOR ANTAGONISTS FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS ASTRAZENECA AB (SE) 2008-07-30 EP claimed
US-20070185095-A1 Fused heterocyclic compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB (SE) 2007-08-09 US claimed
EP-1716152-A2 FUSED HETROCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC RECEPTOR ANTAGONISTS FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS AstraZeneca AB (SE) 2006-11-02 EP claimed
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 claimed
US-20060009443-A1 Fused heterocyclic compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB 2006-01-12 US claimed
WO-2005080397-A2 FUSED HETROCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC RECEPTOR ANTAGONISTS FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS ASTRAZENECA AB (SE) 2005-09-01 WO claimed
WO-2005077345-A1 COMPOUNDS FOR THE TREATMENT OF GASTRO-ESOPHAGEAL REFLUX DISEASE ASTRAZENECA AB (SE) 2005-08-25 WO claimed
EP-1529045-A2 NEW COMPOUNDS Astra Zeneca AB (SE) 2005-05-11 EP claimed
US-20040152699-A1 Compounds ASTRAZENECA AND NPS PHARMACEUTICALS, INC. 2004-08-05 US claimed
WO-2004014881-A2 '1,2,4'OXADIAZOLES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 ASTRA ZENECA AB (SE) 2004-02-19 WO claimed
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-7456200-B2 Compounds ASTRAZENECA AB (SE) 2008-11-25 US disclosed
US-20080045571-A1 ADDITIONAL HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2008-02-21 US disclosed
US-20050272779-A1 Additional heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB 2005-12-08 US disclosed
WO-2005077345-A1 COMPOUNDS FOR THE TREATMENT OF GASTRO-ESOPHAGEAL REFLUX DISEASE ASTRAZENECA AB (SE) 2005-08-25 WO 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 (6 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-20070185095-A1 Fused heterocyclic compounds and their use as metabotropic glutamate receptor antagonists GRM1, GRM3, GRM5 KCNH2 672/4885CASP3 4052/4885ADORA2A 288/4885
US-20040152699-A1 Compounds SDHA, CYP11B2, CYP11B1 KCNH2 1764/4885CASP3 1846/4885ADORA2A 1461/4885
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 KCNH2 710/4885CASP3 4583/4885ADORA2A 196/4885
US-20050272779-A1 Additional heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists GRM5, GRIK5, GRM2 KCNH2 1064/4885CASP3 4631/4885ADORA2A 272/4885
US-20060009443-A1 Fused heterocyclic compounds and their use as metabotropic glutamate receptor antagonists GRM3, GRM1, GRM5 KCNH2 513/4885CASP3 3898/4885ADORA2A 239/4885
US-20080045571-A1 ADDITIONAL HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS GRM5, GRIK5, GRM2 KCNH2 1064/4885CASP3 4631/4885ADORA2A 272/4885

“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.