SCHEMBL17931618

SCHEMBL17931618

C[C@H](Cc1ccc(OCc2ccccc2Cl)cc1)N(C)CC(=O)OC(C)(C)C

nearest known ligand 0.76

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 19/20 0.76
▸ MAOA P21397 3/20 0.53
▸ NR4A2 P43354 1/20 0.46

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
SCHEMBL16552377 0.86 MAOB (1.00) MAOBMAOANR4A2
SCHEMBL17931617 0.86 MAOB (0.74) MAOBMAOA
SCHEMBL17931615 0.80 MAOB (0.55) MAOBMAOA
SCHEMBL17931584 0.80 MAOB (0.73) MAOBMAOANR4A2
SCHEMBL17923817 0.79 MAOB (0.52) MAOBMAOANR4A2
SCHEMBL16552343 0.79 MAOB (0.48) MAOBMAOA
SCHEMBL8925517 0.74 PTPN1 (0.66) MAOB
SCHEMBL16552376 0.74 MAOB (1.00) MAOBMAOA
Hydrochloric Acid SCHEMBL17923795 0.73 MAOB (0.98) MAOBMAOA
Hydrochloric Acid SCHEMBL17923792 0.73 MAOB (0.98) MAOBMAOA

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
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 (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 2/4885NR4A2 3011/4885

“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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