SCHEMBL3548236

SCHEMBL3548236

CN1CCN(CCc2nc3c(ccc4[nH]cc(C5CN6CCC5CC6)c43)o2)CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.35
HTR2C P28335 2/20 0.35
HTR2B P41595 1/20 0.35
HTR1D P28221 8/20 0.35
HTR1B P28222 7/20 0.35
HTR1F P30939 6/20 0.34
NOS3 P29474 3/20 0.33
NOS1 P29475 3/20 0.33
MPO P05164 1/20 0.33
HTR1A P08908 2/20 0.32
CYP2D6 P10635 1/20 0.32
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
KDM4E B2RXH2 1/20 0.31
ATM Q13315 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C19 P33261 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 SCHEMBL3551139 0.99 HTR2A (0.35) HTR2AHTR2CHTR2BHTR1DHTR1B
SCHEMBL3548802 0.91 CYP2D6 (0.42) HTR1DHTR1BNOS3NOS1CYP2D6
Hydrochloric Acid SCHEMBL3543341 0.90 CYP2D6 (0.42) HTR1DHTR1BNOS3NOS1CYP2D6
SCHEMBL3543957 0.89 NOS3 (0.36) NOS3NOS1CHRM2CHRM4CHRM5
Hydrochloric Acid SCHEMBL3555630 0.88 NOS3 (0.35) NOS3NOS1CHRM2CHRM4CHRM5
SCHEMBL3546192 0.85 NOS3 (0.34) HTR2AHTR2CHTR2BHTR1DHTR1B
SCHEMBL3548945 0.85 HTR1F (0.47) HTR2AHTR2CHTR1DHTR1BHTR1F
Hydrochloric Acid SCHEMBL3546104 0.84 NOS3 (0.34) HTR2AHTR2CHTR2BHTR1DNOS3
Hydrochloric Acid SCHEMBL3542250 0.84 HTR1F (0.46) HTR2AHTR2CHTR1DHTR1BHTR1F
SCHEMBL3548795 0.83 RAB9A (0.37) HTR2ANOS3NOS1CHRM2CHRM4

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 HTR2A 43/4885HTR2C 34/4885HTR2B 16/4885
US-20050101649-A1 6H-oxazolo[4,5-e]indole derivatives as nicotinic acetylcholine receptor ligands and/or serotonergic ligands CHRM1, CHRNA5, CHRNA4 HTR2A 44/4885HTR2C 39/4885HTR2B 20/4885

“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.