SCHEMBL4429916

SCHEMBL4429916

CC[C@H](Oc1ccc(OCc2ccccc2F)cc1)C(=O)NC

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.55
PARP15 Q460N3 2/20 0.52
PARP10 Q53GL7 2/20 0.52
PARP14 Q460N5 1/20 0.52
SCN9A Q15858 1/20 0.51
KCNH2 Q12809 4/20 0.50
FNTA P49354 1/20 0.48
FNTB P49356 1/20 0.48
SCN3A Q9NY46 2/20 0.48
PPARG P37231 1/20 0.45
PPARA Q07869 1/20 0.45
ALDH1A1 P00352 1/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44
LPAR1 Q92633 1/20 0.43
LPAR5 Q9H1C0 1/20 0.43
LMNA P02545 1/20 0.43

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
SCHEMBL4429913 1.00 MAOB (0.55) MAOBPARP15PARP10PARP14SCN9A
SCHEMBL4425178 0.85 MAOB (0.58) MAOBPARP15PARP10PARP14SCN9A
SCHEMBL4425184 0.85 MAOB (0.58) MAOBPARP15PARP10PARP14SCN9A
SCHEMBL5606577 0.82 PPARG (0.60) MAOBPPARGPPARAALDH1A1LMNA
SCHEMBL4425123 0.79 MAOB (0.57) MAOBPARP10SCN9APPARA
SCHEMBL4425117 0.79 MAOB (0.57) MAOBPARP10SCN9APPARA
SCHEMBL14437333 0.78 ALDH1A1 (0.61) ALDH1A1MEN1MAPTKMT2ALMNA
SCHEMBL6162288 0.78 SLC1A2 (0.46) PPARGPPARAALDH1A1MEN1MAPT
SCHEMBL4422878 0.77 ALDH1A1 (0.46) ALDH1A1MEN1MAPTKMT2ALMNA
SCHEMBL4428660 0.77 ALDH1A1 (0.46) ALDH1A1MEN1MAPTKMT2ALMNA

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 1/4885PARP15 1234/4885PARP10 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.