SCHEMBL4468286

SCHEMBL4468286

CC(C)(C)OC(=O)N(CCc1ccc(-c2ccc(C(=O)O)cc2)cc1)C[C@H](O)c1cncc(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 11/20 0.41
ADRB1 P08588 9/20 0.41
RARB P10826 6/20 0.36
LPAR1 Q92633 1/20 0.35
LPAR5 Q9H1C0 1/20 0.35
MPL P40238 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
RARA P10276 1/20 0.35
MAPT P10636 1/20 0.35
MTOR P42345 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL4456601 0.91 CYP4A11 (0.37) ADRB3ADRB1MAPT
SCHEMBL27635152 0.88 CYP51A1 (0.37) ADRB3
SCHEMBL21278542 0.84 ADRB3 (0.51) ADRB3ADRB1LPAR1LPAR5
SCHEMBL4463452 0.83 ADRB3 (0.39) ADRB3
SCHEMBL4463459 0.83 ADRB3 (0.39) ADRB3
SCHEMBL4466360 0.83 ADRB3 (0.55) ADRB3ADRB1
SCHEMBL4478310 0.82 ADRB3 (0.46) ADRB3ADRB1
SCHEMBL6677354 0.82 ADRB3 (0.50) ADRB3ADRB1LPAR1LPAR5
SCHEMBL4479769 0.81 ADRB3 (0.52) ADRB3ADRB1RARB
SCHEMBL1620249 0.81 ADRB3 (0.49) 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 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 39/4885RARB 2854/4885
US-20040006143-A1 For therapy of urinary incontinence H1-0, HRH2, H1-2 ADRB3 568/4885ADRB1 256/4885RARB 2924/4885

“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.