SCHEMBL3553010

SCHEMBL3553010

c1cc2c(ccc3oc(CCN4CCOCC4)nc32)[nH]1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 4/20 0.39
HTR1D P28221 1/20 0.38
HTR1B P28222 1/20 0.38
CYP2D6 P10635 1/20 0.37
PRKCQ Q04759 3/20 0.37
PRKCD Q05655 3/20 0.37
ALDH1A1 P00352 2/20 0.36
MAPT P10636 1/20 0.36
HSD17B10 Q99714 1/20 0.36
DRD3 P35462 1/20 0.36
PIK3CA P42336 2/20 0.36
PIK3CB P42338 2/20 0.36
PIK3CG P48736 2/20 0.36
HPGD P15428 1/20 0.36
MAPK1 P28482 1/20 0.36
PARP1 P09874 1/20 0.35
TERT O14746 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
HTR6 P50406 2/20 0.35
SRC P12931 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 SCHEMBL3548096 0.99 PIK3CD (0.38) PIK3CDHTR1DHTR1BCYP2D6PRKCQ
SCHEMBL3541504 0.88 MPO (0.41) PIK3CDHTR1DHTR1BPRKCQPRKCD
Hydrochloric Acid SCHEMBL3546738 0.87 MPO (0.40) PIK3CDHTR1DHTR1BPRKCQPRKCD
Hydrochloric Acid SCHEMBL3548077 0.77 SMN1; SMN2 (0.42) ALDH1A1MAPTHSD17B10HPGDMAPK1
SCHEMBL3547546 0.75 HRH3 (0.38) CYP2D6HRH3
Hydrochloric Acid SCHEMBL3553023 0.74 HRH3 (0.37) CYP2D6ALDH1A1MAPTHSD17B10MAPK1
SCHEMBL6328774 0.74 PIK3CD (0.32) PIK3CD
SCHEMBL3547227 0.74 HTR1A (0.37) HTR1DHTR1BCYP2D6HTR6
SCHEMBL3553121 0.73 CYP2D6 (0.44) HTR1DHTR1BCYP2D6HTR6
SCHEMBL3552206 0.73 CYP2D6 (0.42) HTR1DHTR1BCYP2D6PIK3CA

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 PIK3CD 3348/4885HTR1D 50/4885HTR1B 25/4885
US-20050101649-A1 6H-oxazolo[4,5-e]indole derivatives as nicotinic acetylcholine receptor ligands and/or serotonergic ligands CHRM1, CHRNA5, CHRNA4 PIK3CD 3324/4885HTR1D 58/4885HTR1B 33/4885

“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.