SCHEMBL4532673

SCHEMBL4532673

C=CCN(C[C@H](C)c1ccccc1)C(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.39
AOC3 Q16853 1/20 0.38
RIPK1 Q13546 1/20 0.38
BACE1 P56817 3/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CYP2C19 P33261 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
NCOR2 Q9Y618 1/20 0.36
BRD4 O60885 1/20 0.35
LTB4R Q15722 1/20 0.35
LTB4R2 Q9NPC1 1/20 0.35
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL4519926 1.00 MAPT (0.41) MAPTL3MBTL1AOC3RIPK1BACE1
SCHEMBL4519925 1.00 MAPT (0.41) MAPTL3MBTL1AOC3RIPK1BACE1
SCHEMBL7832630 0.90 MAPT (0.42) MAPTL3MBTL1RIPK1BACE1NPSR1
SCHEMBL28958712 0.83 AOC3 (0.41) L3MBTL1AOC3RIPK1BACE1HDAC3
SCHEMBL28958714 0.83 AOC3 (0.41) L3MBTL1AOC3RIPK1BACE1HDAC3
SCHEMBL4517622 0.82 AOC3 (0.45) AOC3CYP2C19BRD4ALDH1A1SMN1; SMN2
SCHEMBL24448638 0.79 DPP4 (0.37) MAPTL3MBTL1HDAC1HDAC2ALDH1A1
SCHEMBL19153323 0.79 HDAC3 (0.52) L3MBTL1RIPK1BACE1NPSR1HDAC3
SCHEMBL7826165 0.77 BACE1 (0.39) MAPTL3MBTL1RIPK1BACE1HDAC3
SCHEMBL27838374 0.77 BACE1 (0.39) MAPTL3MBTL1RIPK1BACE1HDAC3

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-20090221653-A1 7-(2-amino-1-hydroxy-ethyl)-4-hydroxybenzothiazol-2(3H)-one-derivatives as beta2 adrenoreceptor agonists ASTRAZENECA AB (SE) 2009-09-03 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-20090221653-A1 7-(2-amino-1-hydroxy-ethyl)-4-hydroxybenzothiazol-2(3H)-one-derivatives as beta2 adrenoreceptor agonists ADRB2, ADRB1, ADRA2C MAPT 2437/4885L3MBTL1 4422/4885AOC3 900/4885

“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.