SCHEMBL4474494

SCHEMBL4474494

COc1cc(C(=O)O)ccc1-c1ccc(CCCN(C[C@H](O)c2cccnc2)C(=O)OC(C)(C)C)cc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 8/20 0.47
ADRB1 P08588 5/20 0.47
CYP51A1 Q16850 2/20 0.42
PTAFR P25105 1/20 0.42
LPAR1 Q92633 3/20 0.41
MKNK1 Q9BUB5 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
ADRB2 P07550 1/20 0.38
ROCK2 O75116 4/20 0.37
ROCK1 Q13464 4/20 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
SCHEMBL4463094 0.96 ADRB3 (0.47) ADRB3ADRB1CYP51A1PTAFRMKNK1
SCHEMBL4480269 0.90 ADRB3 (0.42) ADRB3ADRB1CYP51A1PTAFRADRB2
SCHEMBL4479769 0.89 ADRB3 (0.52) ADRB3ADRB1CYP51A1MKNK1MKNK2
SCHEMBL4468034 0.87 ADRB3 (0.46) ADRB3ADRB1LPAR1ROCK2ROCK1
SCHEMBL4480274 0.87 ADRB3 (0.43) ADRB3ADRB1CYP51A1PTAFRADRB2
SCHEMBL4479978 0.87 ADRB3 (0.45) ADRB3ADRB1CYP51A1ADRB2
SCHEMBL4478310 0.86 ADRB3 (0.46) ADRB3ADRB1CYP51A1ADRB2
SCHEMBL4478505 0.83 ADRB3 (0.47) ADRB3ADRB1LPAR1ROCK2ROCK1
SCHEMBL1620795 0.80 ADRB3 (0.64) ADRB3ADRB1
SCHEMBL4464549 0.80 CYP51A1 (0.44) ADRB3ADRB1CYP51A1PTAFRCYP11B1

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

“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.