SCHEMBL4809626

SCHEMBL4809626

COc1cc(-c2ccc(OCCNC[C@@H](O)c3ccc(O)c(NS(C)(=O)=O)c3)cc2)ccc1C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ADRB3 P13945 20/20 0.67
▸ ADRB1 P08588 10/20 0.67

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
SCHEMBL4809609 1.00 ADRB3 (0.67) ADRB3ADRB1
SCHEMBL4815298 0.93 ADRB3 (0.67) ADRB3ADRB1
SCHEMBL4815313 0.93 ADRB3 (0.67) ADRB3ADRB1
SCHEMBL4815546 0.91 ADRB3 (0.63) ADRB3ADRB1
SCHEMBL4815539 0.91 ADRB3 (0.63) ADRB3ADRB1
SCHEMBL4818090 0.91 ADRB3 (0.68) ADRB3ADRB1
SCHEMBL4817268 0.90 ADRB3 (0.62) ADRB3ADRB1
SCHEMBL4810860 0.90 ADRB3 (0.62) ADRB3ADRB1
SCHEMBL4817246 0.90 ADRB3 (0.62) ADRB3ADRB1
SCHEMBL4810871 0.90 ADRB3 (0.62) 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 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 5/4885ADRB1 4/4885

“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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