SCHEMBL4815105

SCHEMBL4815105

Cc1cc(-c2ccc(C(=O)OCc3ccccc3)cc2)cc(C)c1OCCN[C@@H](C)[C@H](O)c1ccc(OCc2ccccc2)c(NS(C)(=O)=O)c1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ADRB3 P13945 14/20 0.39
▸ GLO1 Q04760 1/20 0.37
▸ TRPV1 Q8NER1 1/20 0.37
▸ ADRB1 P08588 3/20 0.36
▸ PDE4A P27815 1/20 0.36
▸ PDE4B Q07343 1/20 0.36
▸ PDE4C Q08493 1/20 0.36
▸ PDE4D Q08499 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ CYP19A1 P11511 1/20 0.36

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
SCHEMBL4815109 1.00 ADRB3 (0.39) ADRB3GLO1TRPV1ADRB1PDE4A
SCHEMBL4814502 0.96 ADRB3 (0.39) ADRB3TRPV1ADRB1PDE4APDE4B
SCHEMBL4814509 0.96 ADRB3 (0.39) ADRB3TRPV1ADRB1PDE4APDE4B
SCHEMBL4814553 0.93 MRGPRX4 (0.38) ADRB3TRPV1ADRB1PDE4APDE4B
SCHEMBL4814529 0.93 MRGPRX4 (0.38) ADRB3TRPV1ADRB1PDE4APDE4B
SCHEMBL4814901 0.90 ALDH1A1 (0.38) ADRB3PDE4APDE4BPDE4CPDE4D
SCHEMBL4814918 0.90 ALDH1A1 (0.38) ADRB3PDE4APDE4BPDE4CPDE4D
SCHEMBL4816225 0.89 ADRB3 (0.40) ADRB3GLO1TRPV1PDE4APDE4B
SCHEMBL4816218 0.89 ADRB3 (0.40) ADRB3GLO1TRPV1PDE4APDE4B
SCHEMBL5699364 0.88 ADRB3 (0.42) ADRB3ADRB1CYP19A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7417169-B2 Amino alcohol derivatives, medicinal composition containing the same, and use of these KISSEI PHARMACEUTICAL CO., LTD. (JP) 2008-08-26 — — US disclosed
US-20070078184-A1 Amino alcohol derivatives, medicinal composition containing the same, and use of these KISSEI PHARMACEUTICAL CO., LTD. (JP) 2007-04-05 — — US disclosed
EP-1679304-A1 AMINO ALCOHOL DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, AND USE OF THESE Kissei Pharmaceutical Co., Ltd. (JP) 2006-07-12 — — EP 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 (1 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-20070078184-A1 Amino alcohol derivatives, medicinal composition containing the same, and use of these ADRB2, ADRA2A, ADRA1A ADRB3 5/4885GLO1 1727/4885TRPV1 1104/4885

“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.

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