SCHEMBL4814502

SCHEMBL4814502

CCOC(=O)c1ccc(-c2cc(C)c(OCCN[C@@H](C)[C@H](O)c3ccc(OCc4ccccc4)c(NS(C)(=O)=O)c3)c(C)c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ADRB3 P13945 10/20 0.39
▸ ADRB1 P08588 3/20 0.38
▸ ADRB2 P07550 1/20 0.37
▸ ESRRA P11474 1/20 0.37
▸ TRPV1 Q8NER1 1/20 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
▸ PPIA P62937 1/20 0.36
▸ CYP19A1 P11511 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ RECQL P46063 1/20 0.36
▸ 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
SCHEMBL4814509 1.00 ADRB3 (0.39) ADRB3ADRB1ADRB2ESRRATRPV1
SCHEMBL4815105 0.96 ADRB3 (0.39) ADRB3ADRB1TRPV1PDE4APDE4B
SCHEMBL4815109 0.96 ADRB3 (0.39) ADRB3ADRB1TRPV1PDE4APDE4B
SCHEMBL4811808 0.90 ADRB3 (0.39) ADRB3ADRB1ADRB2ESRRAKDM4E
SCHEMBL4811819 0.90 ADRB3 (0.39) ADRB3ADRB1ADRB2ESRRAKDM4E
SCHEMBL4814529 0.89 MRGPRX4 (0.38) ADRB3ADRB1TRPV1PDE4APDE4B
SCHEMBL4814553 0.89 MRGPRX4 (0.38) ADRB3ADRB1TRPV1PDE4APDE4B
SCHEMBL4820454 0.89 ADRB3 (0.39) ADRB3ADRB1ESRRATRPV1PDE4A
SCHEMBL4820449 0.89 ADRB3 (0.39) ADRB3ADRB1ESRRATRPV1PDE4A
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 5/4885ADRB1 4/4885ADRB2 1/4885

“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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