SCHEMBL4490778

SCHEMBL4490778

CC(C)(O)c1ccc(-c2ccc(C3(C#N)CC3)cc2F)nc1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
CYP1A2 P05177 2/20 0.39
ALOX5AP P20292 4/20 0.38
FEN1 P39748 3/20 0.35
TNKS O95271 1/20 0.35
PARP1 P09874 1/20 0.35
TNKS2 Q9H2K2 1/20 0.35
LRRK2 Q5S007 1/20 0.35
SMO Q99835 1/20 0.35
HSD11B1 P28845 3/20 0.34
APP P05067 1/20 0.33
TRPM8 Q7Z2W7 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
SCD O00767 1/20 0.32

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
SCHEMBL4504114 0.82 APP (0.46) ALDH1A1CYP1A2HSD11B1APPFFAR4
SCHEMBL4505614 0.77 ALDH1A1 (0.45) ALDH1A1CYP1A2ALOX5APFEN1SCD
SCHEMBL5009695 0.77 ALDH1A1 (0.40) ALDH1A1CYP1A2ALOX5APFEN1FFAR4
SCHEMBL4513372 0.77 AKR1C3 (0.49) ALDH1A1CYP1A2HSD11B1APP
SCHEMBL4488999 0.76 CYP1A2 (0.41) CYP1A2ALOX5APLRRK2SMOHSD11B1
SCHEMBL4515335 0.74 OPRM1 (0.41) ALDH1A1CYP1A2APPFFAR4
SCHEMBL4507678 0.72 APP (0.46) ALDH1A1CYP1A2APPFFAR4
SCHEMBL4508336 0.71 APP (0.48) CYP1A2APP
SCHEMBL17172340 0.71 ALDH1A1 (0.37) ALDH1A1CYP1A2ALOX5APFEN1LRRK2
SCHEMBL4497508 0.70 FFAR4 (0.41) CYP1A2HSD11B1APPFFAR4

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-20090291988-A1 Reversible Inhibitors of Monoamine Oxidase A and B MERCK FROSST CANADA LTD. (CA) 2009-11-26 US claimed
EP-1893562-A1 REVERSIBLE INHIBITORS OF MONOAMINE OXIDASE A AND B Merck Frosst Canada Ltd. (CA) 2008-03-05 EP claimed
WO-2006133559-A1 REVERSIBLE INHIBITORS OF MONOAMINE OXIDASE A AND B MERCK FROSST CANADA LTD. (CA) 2006-12-21 WO claimed
US-20090291988-A1 Reversible Inhibitors of Monoamine Oxidase A and B MERCK FROSST CANADA LTD. (CA) 2009-11-26 US disclosed
EP-1893562-A1 REVERSIBLE INHIBITORS OF MONOAMINE OXIDASE A AND B Merck Frosst Canada Ltd. (CA) 2008-03-05 EP disclosed
WO-2006133559-A1 REVERSIBLE INHIBITORS OF MONOAMINE OXIDASE A AND B MERCK FROSST CANADA LTD. (CA) 2006-12-21 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 (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-20090291988-A1 Reversible Inhibitors of Monoamine Oxidase A and B MAOB, MAOA, XDH ALDH1A1 199/4885CYP1A2 24/4885ALOX5AP 1595/4885

“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.