SCHEMBL3553092

SCHEMBL3553092

COc1ccc2c(Cc3nc4c(ccc5[nH]cc(C6CN7CCC6CC7)c54)o3)c[nH]c2c1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 6/20 0.39
MTNR1A P48039 4/20 0.39
DRD4 P21917 1/20 0.37
CHRNA7 P36544 2/20 0.37
HTR3A P46098 2/20 0.37
GPR84 Q9NQS5 2/20 0.37
ALOX5 P09917 2/20 0.36
HTR2A P28223 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 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
Hydrochloric Acid SCHEMBL3550073 0.99 MTNR1B (0.39) MTNR1BMTNR1ADRD4CHRNA7HTR3A
SCHEMBL3542038 0.94 MTNR1B (0.46) MTNR1BMTNR1AGPR84ALOX5HTR2A
Hydrochloric Acid SCHEMBL3546035 0.94 MTNR1B (0.45) MTNR1BMTNR1AGPR84ALOX5HTR2A
SCHEMBL5011585 0.85 GPR84 (0.39) MTNR1BMTNR1ADRD4GPR84HTR2A
SCHEMBL3547527 0.85 HTR1B (0.44) MTNR1BMTNR1ADRD4GPR84ALOX5
Hydrochloric Acid SCHEMBL5013248 0.84 GPR84 (0.38) MTNR1BDRD4GPR84HTR2AMEN1
Hydrochloric Acid SCHEMBL3548068 0.84 HTR1B (0.43) MTNR1BMTNR1ADRD4GPR84MEN1
SCHEMBL3551354 0.83 MTNR1B (0.42) MTNR1BMTNR1AGPR84ALOX5HTR2A
Hydrochloric Acid SCHEMBL3541534 0.82 MTNR1B (0.41) MTNR1BMTNR1AGPR84ALOX5HTR2A
SCHEMBL3549158 0.81 NOS3 (0.35) HTR3A

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7741343-B2 6H-oxazolo[4,5 e]indole derivatives as nicotinic acetylcholine receptor ligands and/or serotonergic ligands MERCK PATENT GMBH (DE) 2010-06-22 US disclosed
US-20080051394-A1 6H-Oxazolo[4,5 e]indole derivatives as nicotinic acetylcholine receptor ligands and/or serotonergic ligands SCHIEMANN KAI 2008-02-28 US disclosed
US-7291633-B2 6H-oxazolo[4,5-e]indole derivatives as nicotinic acetylcholine receptor ligands and/or serotonergic ligands MERCK PATENT GMBH (DE) 2007-11-06 US disclosed
US-20050101649-A1 6H-oxazolo[4,5-e]indole derivatives as nicotinic acetylcholine receptor ligands and/or serotonergic ligands MERCK PATENT GMBH (DE) 2005-05-12 US disclosed
EP-1392699-B1 6H-OXAZOLO 4,5-E]INDOLE DERIVATIVES AS NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS AND/OR SEROTONERGIC LIGANDS MERCK PATENT GMBH (DE) 2005-03-16 EP disclosed
EP-1392699-A1 6H-OXAZOLO 4,5-E]INDOLE DERIVATIVES AS NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS AND/OR SEROTONERGIC LIGANDS MERCK PATENT GmbH (DE) 2004-03-03 EP disclosed
WO-2002088139-A1 6H-OXAZOLO[4,5-E]INDOLE DERIVATIVES AS NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS AND/OR SEROTONERGIC LIGANDS MERCK PATENT GMBH (DE) 2002-11-07 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 (2 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-20080051394-A1 6H-Oxazolo[4,5 e]indole derivatives as nicotinic acetylcholine receptor ligands and/or serotonergic ligands CHRM1, CHRNA5, CHRNA4 MTNR1B 214/4885MTNR1A 171/4885DRD4 103/4885
US-20050101649-A1 6H-oxazolo[4,5-e]indole derivatives as nicotinic acetylcholine receptor ligands and/or serotonergic ligands CHRM1, CHRNA5, CHRNA4 MTNR1B 213/4885MTNR1A 171/4885DRD4 103/4885

“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.