SCHEMBL3548795

SCHEMBL3548795

O=C1CCCN1CCc1nc2c(ccc3[nH]cc(C4CN5CCC4CC5)c32)o1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NOS3 P29474 2/20 0.32
NOS1 P29475 2/20 0.32
LMNA P02545 2/20 0.32
HTR3A P46098 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
HSD17B10 Q99714 1/20 0.30
HTR2A P28223 1/20 0.30
HTR7 P34969 1/20 0.30
CHRM2 P08172 1/20 0.30
CHRM4 P08173 1/20 0.30
CHRM5 P08912 1/20 0.30
CHRM1 P11229 1/20 0.30
CHRM3 P20309 1/20 0.30
KMT2A Q03164 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 SCHEMBL3546167 0.99 RAB9A (0.37) RAB9ASMN1; SMN2NOS3NOS1LMNA
SCHEMBL3543957 0.84 NOS3 (0.36) RAB9ANOS3NOS1HTR3AALDH1A1
SCHEMBL6844233 0.84 HTR1F (0.37) RAB9ASMN1; SMN2LMNAKDM4EHTR2A
Hydrochloric Acid SCHEMBL3555630 0.84 NOS3 (0.35) RAB9ANOS3NOS1HTR3AALDH1A1
Hydrochloric Acid SCHEMBL3627024 0.83 HTR1F (0.41) HTR2A
Hydrochloric Acid SCHEMBL3551420 0.83 HTR1F (0.36) RAB9ASMN1; SMN2LMNAKDM4EHTR2A
SCHEMBL3548236 0.83 HTR2A (0.35) NOS3NOS1KDM4EHTR2ACHRM2
SCHEMBL3548802 0.83 CYP2D6 (0.42) NOS3NOS1HTR3ACHRM2CHRM4
Hydrochloric Acid SCHEMBL3543341 0.82 CYP2D6 (0.42) NOS3NOS1HTR3AKDM4EHSD17B10
Hydrochloric Acid SCHEMBL3551139 0.82 HTR2A (0.35) NOS3NOS1KDM4EHTR2ACHRM2

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 RAB9A 2957/4885SMN1; SMN2 272/4885NOS3 1316/4885
US-20050101649-A1 6H-oxazolo[4,5-e]indole derivatives as nicotinic acetylcholine receptor ligands and/or serotonergic ligands CHRM1, CHRNA5, CHRNA4 RAB9A 2922/4885SMN1; SMN2 274/4885NOS3 1462/4885

“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.