SCHEMBL3547637

SCHEMBL3547637

c1cc(Cc2nc3c(ccc4[nH]cc(C5CCNCC5)c43)o2)cs1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR1F P30939 4/20 0.38
HTR2C P28335 2/20 0.34
ADRB2 P07550 1/20 0.34
HTR1A P08908 1/20 0.33
HTR1D P28221 1/20 0.33
HTR1B P28222 1/20 0.33
APP P05067 2/20 0.32
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
CHRNB2 P17787 1/20 0.30
CHRNA4 P43681 1/20 0.30
PNP P00491 1/20 0.30
NMT2 O60551 1/20 0.30
NMT1 P30419 1/20 0.30

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 SCHEMBL3546931 0.99 HTR1F (0.37) HTR1FHTR2CADRB2HTR1AHTR1D
SCHEMBL3547777 0.84 NOS3 (0.38) HTR1FHTR2CADRB2HTR1AHTR1D
Hydrochloric Acid SCHEMBL3542523 0.83 HTR2C (0.38) HTR1FHTR2CADRB2HTR1AHTR1D
SCHEMBL3547608 0.78 HTR1F (0.41) HTR1FHTR2CADRB2HTR1AHTR1D
Hydrochloric Acid SCHEMBL3539701 0.77 HTR1F (0.41) HTR1FHTR2CADRB2HTR1AHTR1D
SCHEMBL3547115 0.77 HTR1F (0.40) HTR1FHTR2CHTR1AHTR1DHTR1B
Hydrochloric Acid SCHEMBL3545956 0.76 HTR1F (0.39) HTR1FHTR2CHTR1AHTR1DHTR1B
SCHEMBL3552206 0.74 CYP2D6 (0.42) HTR1FHTR2CADRB2HTR1AHTR1D
SCHEMBL3551354 0.74 MTNR1B (0.42)
Hydrochloric Acid SCHEMBL3553017 0.74 CYP2D6 (0.41) HTR1FHTR2CADRB2HTR1AHTR1D

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 HTR1F 53/4885HTR2C 34/4885ADRB2 106/4885
US-20050101649-A1 6H-oxazolo[4,5-e]indole derivatives as nicotinic acetylcholine receptor ligands and/or serotonergic ligands CHRM1, CHRNA5, CHRNA4 HTR1F 57/4885HTR2C 39/4885ADRB2 81/4885

“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.