SCHEMBL4472419

SCHEMBL4472419

CCOC(=O)c1ccc(-c2ccc(CCN(C[C@H](O)c3cccc(Cl)c3)C(=O)OC(C)(C)C)cc2)c(OC)c1

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 10/20 0.52
ADRB3 P13945 10/20 0.52
ROCK2 O75116 2/20 0.42
ROCK1 Q13464 2/20 0.42
TP53 P04637 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
SCHEMBL4468832 0.88 ADRB3 (0.58) ADRB1ADRB3ROCK2ROCK1
SCHEMBL4474501 0.88 ADRB3 (0.46) ADRB1ADRB3
SCHEMBL4479779 0.86 ADRB3 (0.53) ADRB1ADRB3
SCHEMBL4474151 0.85 ADRB3 (0.51) ADRB1ADRB3
SCHEMBL4461296 0.85 ADRB3 (0.49) ADRB1ADRB3
SCHEMBL4461299 0.85 ADRB3 (0.49) ADRB1ADRB3
SCHEMBL6541363 0.84 TP53 (0.40) ADRB1ADRB3TP53
SCHEMBL6541360 0.84 TP53 (0.40) ADRB1ADRB3TP53
SCHEMBL4462333 0.84 ADRB3 (0.45) ADRB1ADRB3
SCHEMBL4475758 0.84 ADRB3 (0.49) ADRB1ADRB3

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 ADRB1 39/4885ADRB3 130/4885ROCK2 3982/4885
US-20040006143-A1 For therapy of urinary incontinence H1-0, HRH2, H1-2 ADRB1 256/4885ADRB3 568/4885ROCK2 2861/4885

“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.