SCHEMBL5035179

SCHEMBL5035179

CNC(=O)C(C)Cc1ccc(OCc2cccc(F)c2)cc1

nearest known ligand 0.66

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAOB P27338 9/20 0.61
MAOA P21397 2/20 0.60
SCN9A Q15858 1/20 0.60
GRM5 P41594 1/20 0.56
NR4A2 P43354 1/20 0.56
PARP10 Q53GL7 1/20 0.55
PPARA Q07869 1/20 0.54
FFAR1 O14842 1/20 0.52

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
SCHEMBL8431825 0.86 MAOB (0.62) MAOBMAOASCN9AGRM5NR4A2
SCHEMBL21315900 0.85 MAOB (0.58) MAOBMAOASCN9AGRM5NR4A2
SCHEMBL1534880 0.85 MAOB (0.69) MAOBMAOASCN9ANR4A2PARP10
SCHEMBL4425539 0.84 MAOB (0.60) MAOBMAOASCN9AGRM5NR4A2
SCHEMBL4425537 0.84 MAOB (0.60) MAOBMAOASCN9AGRM5NR4A2
SCHEMBL1070381 0.84 MAOB (0.78) MAOBMAOASCN9APPARA
SCHEMBL3288764 0.84 MAOB (0.78) MAOBMAOASCN9APPARA
SCHEMBL4425117 0.80 MAOB (0.57) MAOBMAOASCN9AGRM5NR4A2
SCHEMBL4425123 0.80 MAOB (0.57) MAOBMAOASCN9AGRM5NR4A2
SCHEMBL1068001 0.80 MAOB (0.65) MAOBMAOASCN9AGRM5NR4A2

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
EP-1523469-B1 CINNAMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2008-10-08 EP claimed
US-20070078172-A1 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY JENRIN DISCOVERY (US) 2007-04-05 US claimed
WO-2006138475-A2 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY JENRIN DISCOVERY (US) 2006-12-28 WO claimed
US-6900354-B2 3-phenyl-propionamido, 3-phenyl-acrylamido and 3-phenyl-propynamido derivatives HOFFMAN-LA ROCHE INC. (US) 2005-05-31 US claimed
EP-1523469-A1 CINNAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2005-04-20 EP claimed
US-20040034096-A1 3-Phenyl-propionamido, 3-phenyl-acrylamido and 3-phenyl-propynamido derivatives HOFFMANN-LA ROCHE INC. 2004-02-19 US claimed
WO-2004007429-A1 CINNAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2004-01-22 WO claimed
EP-1523469-B1 CINNAMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2008-10-08 EP disclosed
US-20070078172-A1 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY JENRIN DISCOVERY (US) 2007-04-05 US disclosed
WO-2006138475-A2 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY JENRIN DISCOVERY (US) 2006-12-28 WO disclosed
US-6900354-B2 3-phenyl-propionamido, 3-phenyl-acrylamido and 3-phenyl-propynamido derivatives HOFFMAN-LA ROCHE INC. (US) 2005-05-31 US disclosed
EP-1523469-A1 CINNAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2005-04-20 EP disclosed
US-20040034096-A1 3-Phenyl-propionamido, 3-phenyl-acrylamido and 3-phenyl-propynamido derivatives HOFFMANN-LA ROCHE INC. 2004-02-19 US disclosed
WO-2004007429-A1 CINNAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2004-01-22 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-20070078172-A1 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY MAOB, MAOA, GPR119 MAOB 1/4885MAOA 2/4885SCN9A 3412/4885
US-20040034096-A1 3-Phenyl-propionamido, 3-phenyl-acrylamido and 3-phenyl-propynamido derivatives MAOB, MAOA, APP MAOB 1/4885MAOA 2/4885SCN9A 2125/4885

“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.