SCHEMBL4474573

SCHEMBL4474573

CC(C)(C)OC(=O)N(CCc1ccc(Br)cc1)C[C@H](O[Si](C)(C)C(C)(C)C)c1cccc(Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 3/20 0.39
AOC3 Q16853 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
MAPT P10636 1/20 0.32
LPAR1 Q92633 1/20 0.32
LPAR5 Q9H1C0 1/20 0.32
SSTR4 P31391 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ITGB1 P05556 1/20 0.31
ITGA4 P13612 1/20 0.31
BACE1 P56817 3/20 0.31
ADRB1 P08588 2/20 0.31
CPB2 Q96IY4 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL4474577 1.00 ADRB3 (0.39) ADRB3AOC3MEN1KMT2AMAPT
SCHEMBL6244465 0.90 LPAR1 (0.36) ADRB3AOC3MEN1KMT2AMAPT
SCHEMBL4468537 0.88 ADRB3 (0.44) ADRB3AOC3LPAR1LPAR5ADRB1
SCHEMBL4468542 0.88 ADRB3 (0.44) ADRB3AOC3LPAR1LPAR5ADRB1
SCHEMBL1622477 0.84 BACE1 (0.43) ADRB3BACE1ADRB1
SCHEMBL4462454 0.84 BACE1 (0.43) ADRB3BACE1ADRB1
SCHEMBL5950226 0.84 AOC3 (0.35) ADRB3AOC3KDM4EBACE1CPB2
SCHEMBL7716904 0.83 AOC3 (0.36) ADRB3AOC3MEN1KMT2ABACE1
SCHEMBL5949849 0.82 AOC3 (0.36) AOC3ITGB1ITGA4BACE1CPB2
SCHEMBL6437304 0.82 AOC3 (0.36) AOC3ITGB1ITGA4BACE1CPB2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7629366-B2 Aminoalcohol derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2009-12-08 US disclosed
US-20060100252-A1 Aminoalcohol derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2006-05-11 US disclosed
US-7037938-B2 Aminoalcohol derivatives ASTELLAS PHARMA INC. (JP) 2006-05-02 US disclosed
US-20040006143-A1 For therapy of urinary incontinence FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-01-08 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-20060100252-A1 Aminoalcohol derivatives H1-0, CHRM2, CHRM1 ADRB3 130/4885AOC3 1124/4885MEN1 4134/4885
US-20040006143-A1 For therapy of urinary incontinence H1-0, HRH2, H1-2 ADRB3 568/4885AOC3 1109/4885MEN1 4292/4885

“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.