SCHEMBL4497508

SCHEMBL4497508

CC(C)(O)Cc1ccc(-c2ccc(C3(C#N)CC3)cc2F)cc1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 2/20 0.41
KDM1A O60341 8/20 0.40
APP P05067 4/20 0.39
CTSK P43235 2/20 0.38
CYP2C19 P33261 4/20 0.38
CYP2C9 P11712 3/20 0.38
CYP3A4 P08684 3/20 0.38
HSD11B1 P28845 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP1A2 P05177 1/20 0.36

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
SCHEMBL5013478 0.89 APP (0.42) FFAR4APPCTSKCYP2C19CYP2C9
SCHEMBL4506497 0.88 FFAR4 (0.44) FFAR4KDM1AAPPCTSKCYP2C19
SCHEMBL4516103 0.87 AKR1C3 (0.39) FFAR4KDM1AAPPCTSKCYP2C19
SCHEMBL4491283 0.85 FFAR4 (0.45) FFAR4APPCYP2C19CYP2C9CYP3A4
SCHEMBL4504114 0.84 APP (0.46) FFAR4APPCTSKCYP2C19CYP2C9
SCHEMBL4508572 0.84 FFAR4 (0.42) FFAR4APPCTSKCYP2C19CYP2C9
SCHEMBL4514062 0.83 FFAR4 (0.48) FFAR4KDM1AAPPCYP2C19CYP2C9
SCHEMBL5011393 0.81 PRKCE (0.43) FFAR4APPCTSKCYP2C19CYP2C9
SCHEMBL4503949 0.79 OPRM1 (0.47) FFAR4APPCYP2C19CYP2C9CYP3A4
SCHEMBL4507678 0.79 APP (0.46) FFAR4APPCTSKCYP2C19CYP2C9

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 FFAR4 4187/4885KDM1A 376/4885APP 1024/4885

“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.