SCHEMBL16552343

SCHEMBL16552343

C[C@H](Cc1ccc(O)cc1)N(C)CC(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 17/20 0.48
▸ MAOA P21397 1/20 0.44
▸ CTSS P25774 1/20 0.42
▸ CTSK P43235 1/20 0.42
▸ ACACB O00763 1/20 0.40
▸ TAAR1 Q96RJ0 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
SCHEMBL17931615 0.83 MAOB (0.55) MAOBMAOA
SCHEMBL17931617 0.83 MAOB (0.74) MAOBMAOA
SCHEMBL17931624 0.80 MAOB (0.55) MAOBCTSSCTSKACACB
SCHEMBL17931630 0.79 MAOB (0.66) MAOBMAOA
SCHEMBL17931618 0.79 MAOB (0.76) MAOBMAOA
SCHEMBL4335844 0.74 CYP2D6 (0.35) ACACB
SCHEMBL4343022 0.74 CYP2D6 (0.35) ACACB
SCHEMBL4335841 0.74 CYP2D6 (0.35) ACACB
SCHEMBL15697338 0.73 ESR1 (0.47) CTSSCTSKTAAR1
SCHEMBL8628683 0.73 ESR1 (0.47) CTSSCTSKTAAR1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20160207878-A1 MAO-B Selective Inhibitor Compounds, Pharmaceutical Compositions Thereof and Uses Thereof MAOB, MAOA, COMT MAOB 1/4885MAOA 2/4885CTSS 179/4885

“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.

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