SCHEMBL4491283

SCHEMBL4491283

N#CC1(c2ccc(-c3ccc(CO)cc3)c(F)c2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 3/20 0.45
APP P05067 6/20 0.42
CYP2C19 P33261 5/20 0.42
CYP3A4 P08684 5/20 0.42
CYP2C9 P11712 4/20 0.42
CYP2D6 P10635 2/20 0.42
AKR1C3 P42330 3/20 0.38
AKR1C2 P52895 3/20 0.38
AKR1C1 Q04828 2/20 0.38
PDCD1 Q15116 1/20 0.38
CD274 Q9NZQ7 1/20 0.38
AKR1B10 O60218 1/20 0.38
AKR1C4 P17516 1/20 0.38
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
APH1B Q8WW43 1/20 0.38
NCSTN Q92542 1/20 0.38
APH1A Q96BI3 1/20 0.38
PSENEN Q9NZ42 1/20 0.38
CACNA1H O95180 1/20 0.37

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 0.89 FFAR4 (0.48) FFAR4APPCYP2C19CYP3A4CYP2C9
SCHEMBL4508572 0.88 FFAR4 (0.42) FFAR4APPCYP2C19CYP3A4CYP2C9
SCHEMBL5013478 0.86 APP (0.42) FFAR4APPCYP2C19CYP3A4CYP2C9
SCHEMBL5011393 0.85 PRKCE (0.43) FFAR4APPCYP2C19CYP3A4CYP2C9
SCHEMBL4497508 0.85 FFAR4 (0.41) FFAR4APPCYP2C19CYP3A4CYP2C9
SCHEMBL4506497 0.83 FFAR4 (0.44) FFAR4APPCYP2C19CYP3A4CYP2C9
SCHEMBL4503949 0.83 OPRM1 (0.47) FFAR4APPCYP2C19CYP3A4CYP2C9
SCHEMBL4507377 0.83 APP (0.47) FFAR4APPCYP2C19CYP3A4CYP2C9
SCHEMBL4493375 0.82 APP (0.43) FFAR4APPCYP2C19CYP3A4CYP2C9
SCHEMBL5011353 0.82 FFAR4 (0.41) FFAR4APPCYP2C19CYP3A4CYP2C9

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 4187/4885APP 1024/4885CYP2C19 66/4885

“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.