SCHEMBL4465641

SCHEMBL4465641

CN(c1ccc(CCN(C[C@@H](O)c2cccc(Cl)c2)C(=O)OC(C)(C)C)cc1)c1ccc(OCC(=O)O)cc1

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 9/20 0.63
ADRB3 P13945 14/20 0.51
ADRB2 P07550 5/20 0.49
CYP2D6 P10635 2/20 0.49
ADRA1D P25100 1/20 0.49
ADRA1A P35348 1/20 0.49
ADRA1B P35368 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
PTGIR P43119 2/20 0.42
GLA P06280 1/20 0.41
CYP3A4 P08684 1/20 0.41
HIF1A Q16665 1/20 0.41
BACE1 P56817 1/20 0.39

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
SCHEMBL4465633 1.00 ADRB1 (0.63) ADRB1ADRB3ADRB2CYP2D6ADRA1D
SCHEMBL4479032 0.93 ADRB3 (0.60) ADRB1ADRB3ADRB2CYP2D6ADRA1D
SCHEMBL4462534 0.93 ADRB3 (0.60) ADRB1ADRB3ADRB2CYP2D6ADRA1D
SCHEMBL4468301 0.93 ADRB3 (0.59) ADRB1ADRB3ADRB2CYP2D6ADRA1D
SCHEMBL4468296 0.93 ADRB3 (0.59) ADRB1ADRB3ADRB2CYP2D6ADRA1D
SCHEMBL4462538 0.93 ADRB3 (0.60) ADRB1ADRB3ADRB2CYP2D6ADRA1D
SCHEMBL4462013 0.91 ADRB3 (0.61) ADRB1ADRB3ADRB2CYP2D6ADRA1D
SCHEMBL4462017 0.91 ADRB3 (0.61) ADRB1ADRB3ADRB2CYP2D6ADRA1D
SCHEMBL5669212 0.90 ADRB3 (0.61) ADRB1ADRB3ADRB2CYP2D6ADRA1D
SCHEMBL4461459 0.90 ADRB3 (0.61) ADRB1ADRB3ADRB2CYP2D6ADRA1D

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 ADRB1 39/4885ADRB3 130/4885ADRB2 40/4885
US-20040006143-A1 For therapy of urinary incontinence H1-0, HRH2, H1-2 ADRB1 256/4885ADRB3 568/4885ADRB2 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.