SCHEMBL16552370

SCHEMBL16552370

CN(CC(=O)OC(C)(C)C)[C@H](CC#N)Cc1ccc(OCc2ccc(Cl)c(Cl)c2)cc1

nearest known ligand 0.77

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 13/20 0.77
▸ MAOA P21397 1/20 0.55
▸ FFAR1 O14842 3/20 0.41
▸ S1PR1 P21453 1/20 0.39
▸ HTR2A P28223 1/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ SIGMAR1 Q99720 1/20 0.39
▸ S1PR5 Q9H228 1/20 0.39

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
SCHEMBL16552344 0.87 MAOB (1.00) MAOBMAOAFFAR1
SCHEMBL17923867 0.87 MAOB (1.00) MAOBMAOAFFAR1
SCHEMBL17935575 0.83 MAOB (0.57) MAOB
SCHEMBL17931624 0.83 MAOB (0.55) MAOB
SCHEMBL17931589 0.82 MAOB (0.75) MAOBMAOAFFAR1
SCHEMBL17923857 0.81 MAOB (0.71) MAOBMAOAFFAR1S1PR1HTR2A
SCHEMBL17931623 0.81 MAOB (0.52) MAOB
SCHEMBL16552387 0.73 MAOB (1.00) MAOBMAOA
SCHEMBL17923834 0.73 MAOB (1.00) MAOBMAOA
SCHEMBL16552365 0.72 MAOB (0.41) MAOB

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
EP-3039009-B1 MAO-B SELECTIVE INHIBITOR COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF AND USES THEREOF UNIV BRITISH COLUMBIA (CA) 2019-05-01 — — EP disclosed
US-10196345-B2 MAO-B selective inhibitor compounds, pharmaceutical compositions thereof and uses thereof THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2019-02-05 — — US disclosed
US-20160207878-A1 MAO-B Selective Inhibitor Compounds, Pharmaceutical Compositions Thereof and Uses Thereof THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2016-07-21 — — US disclosed
US-20160207878-A1 MAO-B Selective Inhibitor Compounds, Pharmaceutical Compositions Thereof and Uses Thereof THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2016-07-21 — — US disclosed
US-20160207878-A1 MAO-B Selective Inhibitor Compounds, Pharmaceutical Compositions Thereof and Uses Thereof THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2016-07-21 — — US disclosed
WO-2015027324-A1 MAO-B SELECTIVE INHIBITOR COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF AND USES THEREOF THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2015-03-05 — — 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-10196345-B2 MAO-B selective inhibitor compounds, pharmaceutical compositions thereof and uses thereof MAOB, MAOA, COMT MAOB 1/4885MAOA 2/4885FFAR1 757/4885
US-20160207878-A1 MAO-B Selective Inhibitor Compounds, Pharmaceutical Compositions Thereof and Uses Thereof MAOB, MAOA, COMT MAOB 1/4885MAOA 2/4885FFAR1 757/4885

“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.

Send feedback