SCHEMBL3547227

SCHEMBL3547227

CN(C)CCc1nc2c(ccc3[nH]ccc32)o1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 8/20 0.37
HTR2C P28335 7/20 0.37
HTR1D P28221 7/20 0.36
HTR1B P28222 6/20 0.36
HTR2A P28223 4/20 0.36
HTR2B P41595 3/20 0.36
HTR6 P50406 3/20 0.36
HTR3E A5X5Y0 2/20 0.36
HTR3B O95264 2/20 0.36
HTR1E P28566 2/20 0.36
HTR1F P30939 2/20 0.36
HTR7 P34969 2/20 0.36
HTR3A P46098 2/20 0.36
HTR5A P47898 2/20 0.36
HTR4 Q13639 2/20 0.36
HTR3D Q70Z44 2/20 0.36
HTR3C Q8WXA8 2/20 0.36
MPO P05164 1/20 0.35
SLC6A4 P31645 1/20 0.35
CDK1 P06493 1/20 0.34

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 SCHEMBL3548836 0.99 HTR1A (0.37) HTR1AHTR2CHTR1DHTR1BHTR2A
SCHEMBL6328774 0.79 PIK3CD (0.32)
SCHEMBL3541504 0.76 MPO (0.41) HTR2CHTR1DHTR1BHTR2AHTR2B
Hydrochloric Acid SCHEMBL3546738 0.75 MPO (0.40) HTR2CHTR1DHTR1BHTR2AHTR2B
SCHEMBL3553010 0.74 PIK3CD (0.39) HTR1DHTR1BHTR6CYP2D6
Hydrochloric Acid SCHEMBL3548096 0.73 PIK3CD (0.38) HTR1DHTR1BHTR6CYP2D6
SCHEMBL3547546 0.73 HRH3 (0.38) HTR1AHTR2CCYP1A2CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL3553023 0.72 HRH3 (0.37) HTR1AHTR2CCYP1A2CYP2D6CYP2C9
SCHEMBL6324082 0.70 ELANE (0.39) L3MBTL1
Hydrochloric Acid SCHEMBL3548077 0.69 SMN1; SMN2 (0.42) CYP1A2CYP2C9MTNR1AMTNR1B

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 HTR1A 11/4885HTR2C 34/4885HTR1D 50/4885
US-20050101649-A1 6H-oxazolo[4,5-e]indole derivatives as nicotinic acetylcholine receptor ligands and/or serotonergic ligands CHRM1, CHRNA5, CHRNA4 HTR1A 15/4885HTR2C 39/4885HTR1D 58/4885

“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.