SCHEMBL20705409

SCHEMBL20705409

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

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACACB O00763 3/20 0.41
BCHE P06276 4/20 0.41
ACHE P22303 4/20 0.41
NPY5R Q15761 3/20 0.39
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38
PPARG P37231 2/20 0.37
PPARA Q07869 2/20 0.37
AAK1 Q2M2I8 1/20 0.37
MAOB P27338 1/20 0.36

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
SCHEMBL12050814 0.87 BCHE (0.53) BCHEACHENPY5ROPRK1MAOB
SCHEMBL9649858 0.86 BCHE (0.42) ACACBBCHEACHENPY5RMAOB
SCHEMBL9650269 0.83 CYP4F2 (0.43) ACACBBCHEACHENPY5RPPARG
SCHEMBL25173080 0.83 PPARG (0.40) PPARGPPARAAAK1
SCHEMBL13748638 0.83 ALOX15 (0.49) BCHEACHEOPRK1PPARGAAK1
SCHEMBL11235133 0.81 HSD17B10 (0.43) BCHEACHEOPRM1OPRD1OPRK1
SCHEMBL8476620 0.80 MAPT (0.42) BCHEACHE
SCHEMBL7603010 0.80 MAPT (0.42) BCHEACHE
SCHEMBL21626010 0.79 ALDH1A1 (0.44) BCHEACHEOPRK1PPARGAAK1
SCHEMBL7603004 0.79 PTGS1 (0.41) ACACBBCHEACHENPY5R

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 2 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

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-10196345-B2 MAO-B selective inhibitor compounds, pharmaceutical compositions thereof and uses thereof MAOB, MAOA, COMT ACACB 125/4885BCHE 1448/4885ACHE 1352/4885

“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.