SCHEMBL3551101

SCHEMBL3551101

c1cn(CCc2nc3c(ccc4[nH]cc(C5CCNCC5)c43)o2)cn1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1F P30939 4/20 0.36
HRH3 Q9Y5N1 1/20 0.34
HTR2C P28335 2/20 0.32
ADRB2 P07550 1/20 0.32
APP P05067 2/20 0.32
CYP19A1 P11511 2/20 0.31
TBXAS1 P24557 2/20 0.31
HTR1D P28221 1/20 0.30
HTR1B P28222 1/20 0.30
GABRP O00591 1/20 0.30
GABRD O14764 1/20 0.30
GABRA1 P14867 1/20 0.30
GABRB1 P18505 1/20 0.30
GABRG2 P18507 1/20 0.30
GABRB3 P28472 1/20 0.30
GABRA5 P31644 1/20 0.30
GABRA3 P34903 1/20 0.30
GABRA2 P47869 1/20 0.30
GABRB2 P47870 1/20 0.30
GABRA4 P48169 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 SCHEMBL3552081 0.99 HTR1F (0.35) HTR1FHRH3HTR2CADRB2APP
SCHEMBL3552607 0.90 HTR1F (0.42) HTR1FHTR2CHTR1DHTR1B
Hydrochloric Acid SCHEMBL3553103 0.89 HTR1F (0.41) HTR1FHTR2CHTR1DHTR1B
SCHEMBL3546470 0.82 NOS3 (0.32) HRH3CYP19A1TBXAS1CYP11B1CYP11B2
Hydrochloric Acid SCHEMBL3540124 0.81 NOS3 (0.32) HRH3
SCHEMBL3547115 0.81 HTR1F (0.40) HTR1FHTR2CHTR1DHTR1B
SCHEMBL3552206 0.81 CYP2D6 (0.42) HTR1FHTR2CADRB2HTR1DHTR1B
Hydrochloric Acid SCHEMBL3553017 0.80 CYP2D6 (0.41) HTR1FHTR2CADRB2HTR1DHTR1B
Hydrochloric Acid SCHEMBL3545956 0.80 HTR1F (0.39) HTR1FHTR2CHTR1DHTR1B
SCHEMBL3547608 0.79 HTR1F (0.41) HTR1FHTR2CADRB2APPHTR1D

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 53/4885HRH3 113/4885HTR2C 34/4885
US-20050101649-A1 6H-oxazolo[4,5-e]indole derivatives as nicotinic acetylcholine receptor ligands and/or serotonergic ligands CHRM1, CHRNA5, CHRNA4 HTR1F 57/4885HRH3 120/4885HTR2C 39/4885

“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.