SCHEMBL3548802

SCHEMBL3548802

c1[nH]c2ccc3oc(CCN4CCOCC4)nc3c2c1C1CN2CCC1CC2

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.42
NOS3 P29474 2/20 0.33
NOS1 P29475 2/20 0.33
HTR1D P28221 1/20 0.33
HTR1B P28222 1/20 0.33
HTR6 P50406 3/20 0.33
L3MBTL3 Q96JM7 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM5 P08912 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
HTR3A P46098 1/20 0.31
KCNH2 Q12809 1/20 0.31

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 SCHEMBL3543341 0.99 CYP2D6 (0.42) CYP2D6NOS3NOS1HTR1DHTR1B
SCHEMBL3548236 0.91 HTR2A (0.35) CYP2D6NOS3NOS1HTR1DHTR1B
Hydrochloric Acid SCHEMBL3551139 0.90 HTR2A (0.35) CYP2D6NOS3NOS1HTR1DHTR1B
SCHEMBL3543957 0.87 NOS3 (0.36) NOS3NOS1CHRM2CHRM4CHRM5
Hydrochloric Acid SCHEMBL3555630 0.86 NOS3 (0.35) NOS3NOS1CHRM2CHRM4CHRM5
SCHEMBL3546192 0.83 NOS3 (0.34) NOS3NOS1HTR1DHTR1BCHRM2
SCHEMBL3548795 0.83 RAB9A (0.37) NOS3NOS1CHRM2CHRM4CHRM5
SCHEMBL3546470 0.83 NOS3 (0.32) NOS3NOS1CHRM2CHRM4CHRM5
Hydrochloric Acid SCHEMBL3546104 0.83 NOS3 (0.34) NOS3NOS1HTR1DCHRM2CHRM4
Hydrochloric Acid SCHEMBL3540124 0.82 NOS3 (0.32) NOS3NOS1KCNH2

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 CYP2D6 2008/4885NOS3 1316/4885NOS1 1101/4885
US-20050101649-A1 6H-oxazolo[4,5-e]indole derivatives as nicotinic acetylcholine receptor ligands and/or serotonergic ligands CHRM1, CHRNA5, CHRNA4 CYP2D6 2220/4885NOS3 1462/4885NOS1 1157/4885

“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.