SCHEMBL4422091

SCHEMBL4422091

CN(C)C(=O)COc1ccc(OCc2ccc(F)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOB P27338 10/20 0.61
NR4A2 P43354 1/20 0.59
PARP10 Q53GL7 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.55
APP P05067 1/20 0.53
MAOA P21397 1/20 0.52
ALOX5 P09917 1/20 0.51
FFAR1 O14842 1/20 0.51
PPARA Q07869 1/20 0.51
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
GPR34 Q9UPC5 1/20 0.49

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
SCHEMBL1957356 0.84 SMN1; SMN2 (0.71) MAOBNR4A2PARP10SMN1; SMN2ALOX5
SCHEMBL4429942 0.81 NR4A2 (0.71) MAOBNR4A2PARP10APPFFAR1
SCHEMBL4421947 0.81 MAOB (0.60) MAOBNR4A2PARP10SMN1; SMN2APP
SCHEMBL4432738 0.80 MAOB (0.71) MAOBNR4A2PARP10APPMAOA
SCHEMBL4477658 0.79 SMN1; SMN2 (0.63) SMN1; SMN2
SCHEMBL4426846 0.79 MAOB (0.61) MAOBNR4A2PARP10SMN1; SMN2APP
SCHEMBL1958617 0.79 SMN1; SMN2 (0.67) SMN1; SMN2
SCHEMBL27550091 0.78 MAOB (0.80) MAOBNR4A2PARP10APPCA12
SCHEMBL6415804 0.78 MAOB (0.64) MAOBNR4A2PARP10APPMAOA
SCHEMBL22874653 0.77 MAOB (0.67) MAOBNR4A2PARP10APPMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1761480-B1 MAO-B INHIBITORS HOFFMANN LA ROCHE (CH) 2009-02-18 EP disclosed
US-7253318-B2 Benzyloxy derivatives as MAOB inhibitors HOFFMAN-LA ROCHE INC. (US) 2007-08-07 US disclosed
EP-1761480-A2 NEW MAO-B INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-03-14 EP disclosed
WO-2006000324-A2 NEW MAO-B INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2006-01-05 WO disclosed
US-20050288367-A1 Benzyloxy derivatives as MAOB inhibitors HOFFMAN-LA ROCHE INC. 2005-12-29 US 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 (1 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-20050288367-A1 Benzyloxy derivatives as MAOB inhibitors MAOB, MAOA, COMT MAOB 1/4885NR4A2 1668/4885PARP10 1329/4885

“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.