SCHEMBL4468034

SCHEMBL4468034

COc1cc(C(=O)O)ccc1-c1ccc(CCCN(C[C@H](O)c2ccc(Cl)nc2)C(=O)OC(C)(C)C)cc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 6/20 0.46
ADRB1 P08588 5/20 0.46
LPAR1 Q92633 5/20 0.39
SCN9A Q15858 2/20 0.36
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
ROCK2 O75116 3/20 0.35
ROCK1 Q13464 3/20 0.35
GRM2 Q14416 1/20 0.35
SCN5A Q14524 1/20 0.34
MRGPRX4 Q96LA9 1/20 0.34

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
SCHEMBL4478505 0.96 ADRB3 (0.47) ADRB3ADRB1LPAR1SCN9APDE4A
SCHEMBL4458979 0.91 ADRB1 (0.38) ADRB3ADRB1LPAR1SCN9AROCK2
SCHEMBL4460136 0.89 ADRB1 (0.42) ADRB3ADRB1
SCHEMBL4474494 0.87 ADRB3 (0.47) ADRB3ADRB1LPAR1ROCK2ROCK1
SCHEMBL4460048 0.87 ADRB3 (0.44) ADRB3ADRB1GRM2
SCHEMBL4463094 0.83 ADRB3 (0.47) ADRB3ADRB1ROCK2ROCK1
SCHEMBL6239482 0.80 ADRB1 (0.48) ADRB3ADRB1SCN9APDE4APDE4B
SCHEMBL4480269 0.77 ADRB3 (0.42) ADRB3ADRB1
SCHEMBL6237642 0.77 ADRB3 (0.38) ADRB3
SCHEMBL4466360 0.76 ADRB3 (0.55) ADRB3ADRB1

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 ADRB3 130/4885ADRB1 39/4885LPAR1 700/4885
US-20040006143-A1 For therapy of urinary incontinence H1-0, HRH2, H1-2 ADRB3 568/4885ADRB1 256/4885LPAR1 1377/4885

“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.