SCHEMBL3553121

SCHEMBL3553121

CN1CCC(c2c[nH]c3ccc4oc(CCN5CCOCC5)nc4c23)CC1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.44
HTR1F P30939 15/20 0.44
HTR1D P28221 12/20 0.44
HTR1B P28222 11/20 0.44
HTR1A P08908 5/20 0.42
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HTR1E P28566 1/20 0.40
HTR6 P50406 1/20 0.40
HTR4 Q13639 1/20 0.40
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
THPO P40225 1/20 0.38

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 SCHEMBL3549547 0.99 CYP2D6 (0.44) CYP2D6HTR1FHTR1DHTR1BHTR1A
SCHEMBL3548945 0.93 HTR1F (0.47) CYP2D6HTR1FHTR1DHTR1BHTR1A
Hydrochloric Acid SCHEMBL3542250 0.92 HTR1F (0.46) CYP2D6HTR1FHTR1DHTR1BHTR1A
SCHEMBL3552206 0.90 CYP2D6 (0.42) CYP2D6HTR1FHTR1DHTR1BHTR1A
Hydrochloric Acid SCHEMBL3553017 0.90 CYP2D6 (0.41) CYP2D6HTR1FHTR1DHTR1BHTR1A
SCHEMBL3552785 0.88 HTR1F (0.49) CYP2D6HTR1FHTR1DHTR1BHTR1A
Hydrochloric Acid SCHEMBL3551945 0.87 HTR1F (0.48) CYP2D6HTR1FHTR1DHTR1BHTR1A
SCHEMBL3547115 0.86 HTR1F (0.40) HTR1FHTR1DHTR1BHTR1AHTR2A
Hydrochloric Acid SCHEMBL3545956 0.86 HTR1F (0.39) HTR1FHTR1DHTR1BHTR1AHTR2A
SCHEMBL3546606 0.84 HTR1F (0.46) CYP2D6HTR1FHTR1DHTR1BHTR1A

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 CYP2D6 2008/4885HTR1F 53/4885HTR1D 50/4885
US-20050101649-A1 6H-oxazolo[4,5-e]indole derivatives as nicotinic acetylcholine receptor ligands and/or serotonergic ligands CHRM1, CHRNA5, CHRNA4 CYP2D6 2220/4885HTR1F 57/4885HTR1D 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.