SCHEMBL4472057

SCHEMBL4472057

CC(C)(C)OC(=O)N(CCc1ccc(Sc2ccc(O)cc2)cc1)C[C@@H](O)c1cccc(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 9/20 0.45
BACE1 P56817 6/20 0.40
GLI1 P08151 2/20 0.38
GLI2 P10070 2/20 0.38
SLC2A1 P11166 1/20 0.36
ADRB1 P08588 5/20 0.36
ADRB2 P07550 1/20 0.35

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
SCHEMBL4472051 1.00 ADRB3 (0.45) ADRB3BACE1GLI1GLI2SLC2A1
SCHEMBL6244538 0.94 BACE1 (0.43) ADRB3BACE1GLI1GLI2SLC2A1
SCHEMBL6241306 0.93 ADRB3 (0.45) ADRB3BACE1SLC2A1ADRB1ADRB2
SCHEMBL27656299 0.92 ADRB3 (0.42) ADRB3BACE1GLI1GLI2SLC2A1
SCHEMBL27635239 0.92 ADRB3 (0.42) ADRB3BACE1GLI1GLI2SLC2A1
SCHEMBL6677313 0.90 ADRB3 (0.45) ADRB3BACE1SLC2A1ADRB1
SCHEMBL27635157 0.90 GLI1 (0.47) ADRB3BACE1GLI1GLI2ADRB1
SCHEMBL6239101 0.90 BACE1 (0.43) ADRB3BACE1SLC2A1ADRB1ADRB2
SCHEMBL6541590 0.90 ADRB3 (0.44) ADRB3BACE1SLC2A1ADRB1ADRB2
SCHEMBL6541582 0.90 ADRB3 (0.44) ADRB3BACE1SLC2A1ADRB1ADRB2

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 130/4885BACE1 3315/4885GLI1 3975/4885
US-20040006143-A1 For therapy of urinary incontinence H1-0, HRH2, H1-2 ADRB3 568/4885BACE1 3808/4885GLI1 1244/4885

“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.