SCHEMBL17931629

SCHEMBL17931629

CN(CC(=O)O)[C@H](CCO)Cc1ccc(O)cc1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 8/20 0.49
▸ OPRD1 P41143 11/20 0.46
▸ OPRK1 P41145 11/20 0.46
▸ OPRM1 P35372 5/20 0.46
▸ SLC7A5 Q01650 1/20 0.41

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
SCHEMBL17931603 0.88 MAOB (0.46) MAOBOPRD1OPRK1OPRM1
SCHEMBL16541165 0.82 MAOB (0.75) MAOB
SCHEMBL16541163 0.82 MAOB (0.75) MAOB
SCHEMBL17923788 0.80 MAOB (0.72) MAOBOPRD1OPRK1OPRM1
SCHEMBL28291236 0.80 MAOB (0.72) MAOBOPRD1OPRK1OPRM1
SCHEMBL17923791 0.80 MAOB (0.72) MAOBOPRD1OPRK1OPRM1
SCHEMBL17931630 0.78 MAOB (0.66) MAOBOPRK1SLC7A5
SCHEMBL21214549 0.77 OPRM1 (0.52) OPRD1OPRK1OPRM1
SCHEMBL17931621 0.76 MAOB (0.48) MAOBOPRD1OPRK1OPRM1
SCHEMBL17931598 0.72 MAOB (0.47) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 1/4885OPRD1 659/4885OPRK1 234/4885
US-20160207878-A1 MAO-B Selective Inhibitor Compounds, Pharmaceutical Compositions Thereof and Uses Thereof MAOB, MAOA, COMT MAOB 1/4885OPRD1 659/4885OPRK1 234/4885

“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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