SCHEMBL4469784

SCHEMBL4469784

CC(C)(C)OC(=O)N(CCc1ccc(-c2ccc(C(=O)O)s2)cc1)C[C@H](O)c1cccc(Cl)c1

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 18/20 0.59
ADRB1 P08588 15/20 0.59
BACE1 P56817 2/20 0.40

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
SCHEMBL4469788 1.00 ADRB3 (0.59) ADRB3ADRB1BACE1
SCHEMBL6239350 0.87 ADRB3 (0.45) ADRB3ADRB1BACE1
SCHEMBL21278542 0.86 ADRB3 (0.51) ADRB3ADRB1BACE1
SCHEMBL5668952 0.85 ADRB3 (0.56) ADRB3ADRB1BACE1
SCHEMBL6244538 0.84 BACE1 (0.43) ADRB3ADRB1BACE1
SCHEMBL4475758 0.83 ADRB3 (0.49) ADRB3ADRB1
SCHEMBL6540709 0.83 BACE1 (0.43) ADRB3ADRB1BACE1
SCHEMBL4462454 0.83 BACE1 (0.43) ADRB3ADRB1BACE1
SCHEMBL6677784 0.83 BACE1 (0.43) ADRB3ADRB1BACE1
SCHEMBL7120679 0.83 ADRB3 (0.43) ADRB3ADRB1BACE1

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 6 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
EP-1546086-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-06-29 EP disclosed
WO-2004002939-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-01-08 WO 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 130/4885ADRB1 39/4885BACE1 3315/4885
US-20040006143-A1 For therapy of urinary incontinence H1-0, HRH2, H1-2 ADRB3 568/4885ADRB1 256/4885BACE1 3808/4885

“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.