SCHEMBL4464549

SCHEMBL4464549

COC(=O)c1ccc(-c2ccc(CCN(C[C@H](O)c3cccnc3)C(=O)OC(C)(C)C)cc2)c(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP51A1 Q16850 6/20 0.44
ADRB3 P13945 7/20 0.39
ADRB1 P08588 5/20 0.39
SLC2A1 P11166 1/20 0.39
CYP19A1 P11511 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
ADRB2 P07550 1/20 0.36
PTAFR P25105 1/20 0.35
ACLY P53396 1/20 0.35
PDK1 Q15118 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
SCHEMBL4478310 0.92 ADRB3 (0.46) CYP51A1ADRB3ADRB1ADRB2
SCHEMBL4474151 0.89 ADRB3 (0.51) ADRB3ADRB1ADRB2
SCHEMBL4478428 0.85 ADRB3 (0.54) ADRB3ADRB1ADRB2
SCHEMBL4463094 0.84 ADRB3 (0.47) CYP51A1ADRB3ADRB1CYP11B1CYP11B2
SCHEMBL4479978 0.83 ADRB3 (0.45) CYP51A1ADRB3ADRB1SLC2A1ADRB2
SCHEMBL4456601 0.83 CYP4A11 (0.37) ADRB3ADRB1
SCHEMBL26177749 0.83 CYP51A1 (0.63) CYP51A1ADRB3
SCHEMBL30605113 0.83 CYP51A1 (0.63) CYP51A1ADRB3
SCHEMBL4479779 0.82 ADRB3 (0.53) ADRB3ADRB1ADRB2
SCHEMBL4468519 0.81 ADRB3 (0.52) ADRB3ADRB1ADRB2

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 CYP51A1 1727/4885ADRB3 130/4885ADRB1 39/4885
US-20040006143-A1 For therapy of urinary incontinence H1-0, HRH2, H1-2 CYP51A1 1390/4885ADRB3 568/4885ADRB1 256/4885

“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.