SCHEMBL4820449

SCHEMBL4820449

CCOC(=O)c1ccc(-c2c(C)cc(OCCN[C@@H](C)[C@H](O)c3ccc(OCc4ccccc4)c(NS(C)(=O)=O)c3)cc2C)cc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ADRB3 P13945 9/20 0.39
▸ PDE4A P27815 2/20 0.37
▸ PDE4B Q07343 2/20 0.37
▸ PDE4C Q08493 2/20 0.37
▸ PDE4D Q08499 2/20 0.37
▸ ESRRA P11474 1/20 0.36
▸ FFAR1 O14842 3/20 0.36
▸ TRPV1 Q8NER1 1/20 0.36
▸ PPIA P62937 1/20 0.36
▸ ADRB1 P08588 1/20 0.36
▸ HPGD P15428 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ HSD17B10 Q99714 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
SCHEMBL4820454 1.00 ADRB3 (0.39) ADRB3PDE4APDE4BPDE4CPDE4D
SCHEMBL4816218 0.96 ADRB3 (0.40) ADRB3PDE4APDE4BPDE4CPDE4D
SCHEMBL4816225 0.96 ADRB3 (0.40) ADRB3PDE4APDE4BPDE4CPDE4D
SCHEMBL4814502 0.89 ADRB3 (0.39) ADRB3PDE4APDE4BPDE4CPDE4D
SCHEMBL4814509 0.89 ADRB3 (0.39) ADRB3PDE4APDE4BPDE4CPDE4D
SCHEMBL5699440 0.89 KEAP1 (0.39) ADRB3FFAR1ADRB1
SCHEMBL5699447 0.89 KEAP1 (0.39) ADRB3FFAR1ADRB1
SCHEMBL5699461 0.88 FFAR1 (0.47) ADRB3FFAR1
SCHEMBL4817470 0.88 ADRB3 (0.44) ADRB3PDE4DADRB1KDM4E
SCHEMBL4818984 0.88 ADRB3 (0.42) ADRB3FFAR1

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 2 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

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 5/4885PDE4A 597/4885PDE4B 585/4885

“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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