SCHEMBL4479978

SCHEMBL4479978

Cc1cc(C(=O)O)ccc1-c1ccc(CCN(C[C@H](O)c2cccnc2)C(=O)OC(C)(C)C)cc1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 10/20 0.45
ADRB1 P08588 6/20 0.45
RARB P10826 1/20 0.43
CYP51A1 Q16850 6/20 0.40
SLC2A1 P11166 1/20 0.38
ADRB2 P07550 1/20 0.38
ADH5 P11766 1/20 0.36

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 0.91 ADRB3 (0.46) ADRB3ADRB1CYP51A1ADRB2ADH5
SCHEMBL4463094 0.91 ADRB3 (0.47) ADRB3ADRB1CYP51A1ADRB2
SCHEMBL4480269 0.87 ADRB3 (0.42) ADRB3ADRB1RARBCYP51A1ADRB2
SCHEMBL4474494 0.87 ADRB3 (0.47) ADRB3ADRB1CYP51A1ADRB2
SCHEMBL4460048 0.86 ADRB3 (0.44) ADRB3ADRB1RARB
SCHEMBL4479769 0.86 ADRB3 (0.52) ADRB3ADRB1RARBCYP51A1ADRB2
SCHEMBL4480274 0.84 ADRB3 (0.43) ADRB3ADRB1CYP51A1ADRB2
SCHEMBL4464549 0.83 CYP51A1 (0.44) ADRB3ADRB1CYP51A1SLC2A1ADRB2
SCHEMBL5703776 0.81 BACE1 (0.40) ADRB3ADRB1RARB
SCHEMBL5703773 0.81 BACE1 (0.40) ADRB3ADRB1RARB

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 130/4885ADRB1 39/4885RARB 2854/4885
US-20040006143-A1 For therapy of urinary incontinence H1-0, HRH2, H1-2 ADRB3 568/4885ADRB1 256/4885RARB 2924/4885

“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.