SCHEMBL4495864

SCHEMBL4495864

N#CC1(c2ccc(-c3cccc(CCO)c3)c(F)c2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCE Q02156 1/20 0.41
FFAR4 Q5NUL3 3/20 0.39
AKR1C3 P42330 3/20 0.39
AKR1C2 P52895 3/20 0.39
APP P05067 5/20 0.38
CYP2C19 P33261 4/20 0.38
CYP2C9 P11712 4/20 0.38
CYP3A4 P08684 3/20 0.38
HSD11B1 P28845 3/20 0.35
CYP2D6 P10635 1/20 0.35
CALML3 P27482 1/20 0.35
ACMSD Q8TDX5 1/20 0.34
AKR1B10 O60218 1/20 0.34
AKR1C4 P17516 1/20 0.34
AKR1C1 Q04828 1/20 0.34
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 1/20 0.34
APH1A Q96BI3 1/20 0.34

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
SCHEMBL4514062 0.88 FFAR4 (0.48) PRKCEFFAR4AKR1C3AKR1C2APP
SCHEMBL4505497 0.85 PRKCE (0.39) PRKCEFFAR4AKR1C3AKR1C2APP
SCHEMBL4516103 0.83 AKR1C3 (0.39) PRKCEFFAR4AKR1C3AKR1C2APP
SCHEMBL4493375 0.82 APP (0.43) FFAR4AKR1C3AKR1C2APPCYP2C19
SCHEMBL4504736 0.80 AKR1C3 (0.43) AKR1C3AKR1C2APPCYP2C19CYP2C9
SCHEMBL4491283 0.80 FFAR4 (0.45) FFAR4AKR1C3AKR1C2APPCYP2C19
SCHEMBL4507377 0.79 APP (0.47) FFAR4AKR1C3AKR1C2APPCYP2C19
SCHEMBL4506329 0.79 AKR1C3 (0.41) PRKCEFFAR4AKR1C3AKR1C2APP
SCHEMBL4517017 0.79 AKR1C3 (0.43) AKR1C3AKR1C2APPCYP2C19CYP2C9
SCHEMBL4503491 0.76 AKR1C3 (0.46) AKR1C3AKR1C2APPCYP2C19CYP2C9

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 PRKCE 3520/4885FFAR4 4187/4885AKR1C3 306/4885

“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.