SCHEMBL4458619

SCHEMBL4458619

C[C@H](Cc1ccc(-c2ccc(CC(=O)O)cc2)cc1)N(C[C@H](O)c1cccc(Cl)c1)C(=O)OC(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 14/20 0.50
ADRB1 P08588 10/20 0.50
ADRB2 P07550 9/20 0.46
CYP2D6 P10635 2/20 0.45
ADRA1D P25100 1/20 0.45
ADRA1A P35348 1/20 0.45
ADRA1B P35368 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
BACE1 P56817 2/20 0.43
SLC2A1 P11166 2/20 0.41
GLA P06280 1/20 0.41
CYP3A4 P08684 1/20 0.40
HIF1A Q16665 1/20 0.40

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
SCHEMBL9316827 0.88 BACE1 (0.46) ADRB3ADRB1ADRB2CYP2D6ADRA1D
SCHEMBL6240263 0.88 ADRB3 (0.44) ADRB3ADRB1ADRB2CYP2D6ADRA1D
SCHEMBL7120069 0.87 BACE1 (0.43) ADRB3ADRB1ADRB2CYP2D6ADRA1D
SCHEMBL7120076 0.87 BACE1 (0.43) ADRB3ADRB1ADRB2CYP2D6ADRA1D
SCHEMBL4459899 0.83 ADRB3 (0.43) ADRB3ADRB1ADRB2CYP2D6ADRA1D
SCHEMBL4459901 0.83 ADRB3 (0.43) ADRB3ADRB1ADRB2CYP2D6ADRA1D
SCHEMBL5668952 0.83 ADRB3 (0.56) ADRB3ADRB1ADRB2BACE1
SCHEMBL6540394 0.82 ADRB3 (0.49) ADRB3ADRB1ADRB2CYP2D6ADRA1D
SCHEMBL6540398 0.82 ADRB3 (0.49) ADRB3ADRB1ADRB2CYP2D6ADRA1D
SCHEMBL6680776 0.82 BACE1 (0.40) ADRB3ADRB1ADRB2CYP2D6ADRA1D

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
US-20040006143-A1 For therapy of urinary incontinence FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-01-08 US disclosed
WO-2004002939-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-01-08 WO 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 39/4885ADRB2 40/4885
US-20040006143-A1 For therapy of urinary incontinence H1-0, HRH2, H1-2 ADRB3 568/4885ADRB1 256/4885ADRB2 123/4885

“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.