SCHEMBL4460048

SCHEMBL4460048

Cc1cc(C(=O)O)ccc1-c1ccc(CCN(C[C@H](O)c2ccc(Cl)nc2)C(=O)OC(C)(C)C)cc1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 12/20 0.44
ADRB1 P08588 11/20 0.44
RARB P10826 2/20 0.43
PPARG P37231 1/20 0.36
AKR1C3 P42330 1/20 0.34
AKR1C2 P52895 1/20 0.34
GRM2 Q14416 1/20 0.33
SRD5A2 P31213 1/20 0.33
BACE1 P56817 1/20 0.33

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 0.91 ADRB3 (0.47) ADRB3ADRB1GRM2SRD5A2
SCHEMBL4468034 0.87 ADRB3 (0.46) ADRB3ADRB1GRM2
SCHEMBL4479978 0.86 ADRB3 (0.45) ADRB3ADRB1RARB
SCHEMBL4460136 0.86 ADRB1 (0.42) ADRB3ADRB1RARBBACE1
SCHEMBL6237642 0.82 ADRB3 (0.38) ADRB3BACE1
SCHEMBL4478310 0.81 ADRB3 (0.46) ADRB3ADRB1SRD5A2
SCHEMBL4458979 0.80 ADRB1 (0.38) ADRB3ADRB1GRM2
SCHEMBL4468286 0.79 ADRB3 (0.41) ADRB3ADRB1RARB
SCHEMBL4479779 0.78 ADRB3 (0.53) ADRB3ADRB1BACE1
SCHEMBL12609851 0.78 SSTR4 (0.43) ADRB3ADRB1AKR1C3AKR1C2GRM2

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.