SCHEMBL4468832

SCHEMBL4468832

COC(=O)c1ccc(-c2ccc(CCN(C[C@H](O)c3cccc(Cl)c3)C(=O)OC(C)(C)C)cc2OC)cc1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 15/20 0.58
ADRB1 P08588 13/20 0.58
ROCK2 O75116 2/20 0.46
ROCK1 Q13464 2/20 0.46
ADRB2 P07550 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
BACE1 P56817 1/20 0.38
MMP2 P08253 1/20 0.37

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
SCHEMBL4478428 0.93 ADRB3 (0.54) ADRB3ADRB1ROCK2ROCK1ADRB2
SCHEMBL4475758 0.91 ADRB3 (0.49) ADRB3ADRB1ADRB2
SCHEMBL4474151 0.89 ADRB3 (0.51) ADRB3ADRB1ADRB2BACE1
SCHEMBL4469696 0.89 ADRB3 (0.45) ADRB3ADRB1ADRB2BACE1
SCHEMBL4472419 0.88 ADRB1 (0.52) ADRB3ADRB1ROCK2ROCK1
SCHEMBL4479779 0.88 ADRB3 (0.53) ADRB3ADRB1ADRB2BACE1
SCHEMBL4468519 0.87 ADRB3 (0.52) ADRB3ADRB1ADRB2BACE1
SCHEMBL4473928 0.87 ADRB3 (0.48) ADRB3ADRB1ADRB2
SCHEMBL4468491 0.86 ADRB3 (0.52) ADRB3ADRB1ADRB2BACE1
SCHEMBL4468485 0.86 ADRB3 (0.52) ADRB3ADRB1ADRB2BACE1

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