SCHEMBL566484

SCHEMBL566484

Fc1cccc(COc2ccc3c(c2)CCNC3)c1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOB P27338 14/20 0.56
MAOA P21397 3/20 0.56
CD274 Q9NZQ7 1/20 0.54
GRM5 P41594 1/20 0.48
HRH3 Q9Y5N1 1/20 0.48
NR4A2 P43354 2/20 0.48
PARP10 Q53GL7 1/20 0.47

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
SCHEMBL30199170 0.95 MAOB (0.56) MAOBMAOACD274GRM5HRH3
SCHEMBL29097880 0.95 MAOB (0.56) MAOBMAOACD274GRM5HRH3
SCHEMBL5045262 0.93 MAOB (0.57) MAOBMAOAGRM5HRH3NR4A2
Hydrochloric Acid SCHEMBL5040459 0.92 MAOB (0.56) MAOBMAOAGRM5HRH3NR4A2
SCHEMBL3874331 0.86 MAOB (0.52) MAOBMAOACD274HRH3
SCHEMBL1020646 0.86 CD274 (0.61) MAOBMAOACD274HRH3
SCHEMBL20905162 0.84 MAOB (0.58) MAOBMAOAGRM5NR4A2PARP10
SCHEMBL5048926 0.82 MAOB (0.57) MAOBMAOAGRM5NR4A2
SCHEMBL29097941 0.81 MAOB (0.52) MAOBMAOAHRH3
SCHEMBL30199270 0.81 MAOB (0.52) MAOBMAOAHRH3

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9181182-B2 S1P receptors modulators AKAAL PHARMA PTY LTD (AU) 2015-11-10 US disclosed
US-20120034270-A1 S1P Receptors Modulators AKAAL PHARMA PTY LTD (AU) 2012-02-09 US disclosed
EP-2344446-A1 S1P RECEPTORS MODULATORS Akaal Pharma Pty Ltd (AU) 2011-07-20 EP disclosed
WO-2010042998-A1 S1P RECEPTORS MODULATORS AKAAL PHARMA PTY LTD (AU) 2010-04-22 WO disclosed
EP-1844045-B1 PHENYL METHANONE DERIVATIVES AND THEIR USE AS GLYCINE TRANSPORTER 1 INHIBITORS HOFFMANN LA ROCHE (CH) 2009-11-04 EP disclosed
EP-1501804-B1 ISOQUINOLINE DERIVATIVES MAO-B INHIBITORS HOFFMANN LA ROCHE (CH) 2009-08-26 EP disclosed
US-7442710-B2 Substituted phenyl methanones HOFFMAN-LA ROCHE INC. (US) 2008-10-28 US disclosed
EP-1844045-A1 PHENYL METHANONE DERIVATIVES AND THEIR USE AS GLYCINE TRANSPORTER 1 INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2007-10-17 EP disclosed
WO-2006079467-A1 PHENYL METHANONE DERIVATIVES AND THEIR USE AS GLYCINE TRANSPORTER 1 INHIBITORS F. HOFMANN-LA ROCHE AG (CH) 2006-08-03 WO disclosed
US-20060167023-A1 Substituted phenyl methanones HOFFMANN-LA ROCHE INC. 2006-07-27 US disclosed
EP-1501804-A1 ISOQUINOLINE DERIVATIVES MAO-B INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2005-02-02 EP disclosed
US-6818774-B2 2-(S)-(6-(4-FLUORO-BENZYLOXY)-3-OXO-3,4-DIHYDRO-1H-ISOQUINOLIN -2-YL)- PROPIONAMIDE FOR EXAMPLE; ALZHEIMER'S DISEASE OR SENILE DEMENTIA HOFFMAN-LA ROCHE INC. 2004-11-16 US disclosed
US-20030225122-A1 2-(S)-(6-(4-fluoro-benzyloxy)-3-oxo-3,4-dihydro-1H-isoquinolin -2-yl)- propionamide for example; Alzheimer's disease or senile dementia HOFFMANN-LA ROCHE INC. 2003-12-04 US disclosed
WO-2003091219-A1 ISOQUINOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2003-11-06 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 (3 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-20060167023-A1 Substituted phenyl methanones SLC6A7, SLC1A1, SLC26A3 MAOB 383/4885MAOA 726/4885CD274 4582/4885
US-20120034270-A1 S1P Receptors Modulators S1PR1, S1PR5, S1PR3 MAOB 4070/4885MAOA 4106/4885CD274 1052/4885
US-20030225122-A1 2-(S)-(6-(4-fluoro-benzyloxy)-3-oxo-3,4-dihydro-1H-isoquinolin -2-yl)- propionamide for example; Alzheimer's disease or senile dementia MAOB, MAOA, BACE2 MAOB 1/4885MAOA 2/4885CD274 4525/4885

“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.