SCHEMBL17931623

SCHEMBL17931623

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

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 7/20 0.52
▸ CTSS P25774 8/20 0.38
▸ CTSK P43235 6/20 0.38
▸ CTSB P07858 3/20 0.37
▸ CTSL P07711 2/20 0.37
▸ ACACB O00763 1/20 0.37
▸ NR1D1 P20393 1/20 0.34
▸ OPRM1 P35372 1/20 0.33
▸ OPRD1 P41143 1/20 0.33
▸ OPRK1 P41145 1/20 0.33
▸ ESR1 P03372 1/20 0.33
▸ ESR2 Q92731 1/20 0.33

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
SCHEMBL17931624 0.91 MAOB (0.55) MAOBCTSSCTSKCTSBCTSL
SCHEMBL17931620 0.85 ACACB (0.37) MAOBACACBNR1D1OPRM1OPRD1
SCHEMBL17935575 0.85 MAOB (0.57) MAOBACACB
SCHEMBL17931622 0.84 ACACB (0.36) MAOBACACBNR1D1OPRM1OPRD1
SCHEMBL17931628 0.83 ACACB (0.36) MAOBACACBNR1D1OPRM1OPRD1
SCHEMBL17931596 0.82 MAOB (0.68) MAOB
SCHEMBL16552370 0.81 MAOB (0.77) MAOB
SCHEMBL25798876 0.74 ACACB (0.39) ACACBNR1D1
SCHEMBL17923788 0.72 MAOB (0.72) MAOBCTSLOPRM1OPRD1OPRK1
SCHEMBL17923791 0.72 MAOB (0.72) MAOBCTSLOPRM1OPRD1OPRK1

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 1 patent. 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

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 1/4885CTSS 179/4885CTSK 189/4885

“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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