SCHEMBL4458816

SCHEMBL4458816

CC(C)(C)OC(=O)N(CCc1ccc(OS(=O)(=O)C(F)(F)F)cc1)C[C@H](O)c1cccc(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 3/20 0.41
ADRB3 P13945 14/20 0.41
ADRB1 P08588 6/20 0.40
ADRB2 P07550 3/20 0.38
ADRA1D P25100 1/20 0.38
ADRA1A P35348 1/20 0.38
ADRA1B P35368 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL4458820 1.00 BACE1 (0.41) BACE1ADRB3ADRB1ADRB2ADRA1D
SCHEMBL6802909 0.96 ADRB3 (0.39) BACE1ADRB3ADRB1ADRB2ADRA1D
SCHEMBL6802914 0.96 ADRB3 (0.39) BACE1ADRB3ADRB1ADRB2ADRA1D
SCHEMBL4462311 0.92 BACE1 (0.42) BACE1ADRB3ADRB1
SCHEMBL4462309 0.92 BACE1 (0.42) BACE1ADRB3ADRB1
SCHEMBL4468558 0.91 BACE1 (0.39) BACE1ADRB3ADRB1
SCHEMBL4468553 0.91 BACE1 (0.39) BACE1ADRB3ADRB1
SCHEMBL4472271 0.90 ADRB3 (0.41) BACE1ADRB3
SCHEMBL4472266 0.90 ADRB3 (0.41) BACE1ADRB3
SCHEMBL4468717 0.88 ALDH1A1 (0.45) BACE1ADRB3ADRB1ADRB2

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 BACE1 3315/4885ADRB3 130/4885ADRB1 39/4885
US-20040006143-A1 For therapy of urinary incontinence H1-0, HRH2, H1-2 BACE1 3808/4885ADRB3 568/4885ADRB1 256/4885

“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.