SCHEMBL3547845

SCHEMBL3547845

c1cncc(-c2nc3c(ccc4[nH]cc(C5CCNCC5)c43)o2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
HSD17B10 Q99714 3/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
HTR1F P30939 3/20 0.39
KDM4E B2RXH2 3/20 0.38
CYP1A2 P05177 3/20 0.38
NPC1 O15118 2/20 0.38
CYP2C19 P33261 2/20 0.38
RAB9A P51151 2/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TSHR P16473 1/20 0.38
HTR2C P28335 2/20 0.38
ADRB2 P07550 1/20 0.38
PIM1 P11309 1/20 0.36
PIM3 Q86V86 1/20 0.36

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 SCHEMBL3546916 0.99 ALDH1A1 (0.39) ALDH1A1HSD17B10MEN1KMT2AGABRA1
SCHEMBL3552355 0.87 HTR1D (0.44) HTR1F
Hydrochloric Acid SCHEMBL3552414 0.86 HTR1D (0.43) HTR1F
SCHEMBL3550735 0.81 KCNH2 (0.47) ALDH1A1HSD17B10MEN1KMT2AKDM4E
Hydrochloric Acid SCHEMBL3542865 0.80 KCNH2 (0.46) ALDH1A1HSD17B10MEN1KMT2AKDM4E
SCHEMBL3550234 0.75 HTR1F (0.48) HTR1FCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL3555049 0.75 HTR2C (0.42) MEN1KMT2AHTR1FHTR2CADRB2
Hydrochloric Acid SCHEMBL3546060 0.74 HTR1F (0.47) HTR1FCYP1A2CYP3A4CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL3545015 0.74 HTR2C (0.43) MEN1KMT2AHTR1FHTR2CADRB2
SCHEMBL3551101 0.72 HTR1F (0.36) GABRA1GABRG2GABRB3HTR1FHTR2C

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 6 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-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 ALDH1A1 2637/4885HSD17B10 1923/4885MEN1 1492/4885
US-20050101649-A1 6H-oxazolo[4,5-e]indole derivatives as nicotinic acetylcholine receptor ligands and/or serotonergic ligands CHRM1, CHRNA5, CHRNA4 ALDH1A1 3084/4885HSD17B10 2209/4885MEN1 1981/4885

“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.