SCHEMBL3551354

SCHEMBL3551354

COc1ccc2c(Cc3nc4c(ccc5[nH]cc(C6CCNCC6)c54)o3)c[nH]c2c1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 7/20 0.42
MTNR1A P48039 5/20 0.42
GPR84 Q9NQS5 2/20 0.39
HTR2A P28223 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HTR6 P50406 2/20 0.37
HTR4 Q13639 1/20 0.37
ALOX5 P09917 3/20 0.37
MAOB P27338 1/20 0.36

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 SCHEMBL3541534 0.99 MTNR1B (0.41) MTNR1BMTNR1AGPR84HTR2AMEN1
SCHEMBL3547527 0.90 HTR1B (0.44) MTNR1BMTNR1AGPR84ALOX5
Hydrochloric Acid SCHEMBL3548068 0.89 HTR1B (0.43) MTNR1BMTNR1AGPR84MEN1KMT2A
SCHEMBL3553092 0.83 MTNR1B (0.39) MTNR1BMTNR1AGPR84HTR2AMEN1
Hydrochloric Acid SCHEMBL3550073 0.82 MTNR1B (0.39) MTNR1BMTNR1AGPR84HTR2AMEN1
SCHEMBL3549342 0.78 MTNR1B (0.52) MTNR1BMTNR1AGPR84HTR2AMEN1
Hydrochloric Acid SCHEMBL3552184 0.77 MTNR1B (0.51) MTNR1BMTNR1AGPR84HTR2AMEN1
SCHEMBL3542038 0.77 MTNR1B (0.46) MTNR1BMTNR1AGPR84HTR2AALOX5
Hydrochloric Acid SCHEMBL3546035 0.76 MTNR1B (0.45) MTNR1BMTNR1AGPR84HTR2AALOX5
SCHEMBL3547637 0.74 HTR1F (0.38)

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 171/4885GPR84 247/4885
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 171/4885GPR84 215/4885

“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.