SCHEMBL4814681

SCHEMBL4814681

Cc1cc(-c2ccc(CCC(=O)O)cc2)cc(C)c1OCCNC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ADRB3 P13945 17/20 0.61
▸ ADRB1 P08588 3/20 0.57
▸ ADRB2 P07550 4/20 0.54
▸ CHRM3 P20309 2/20 0.47

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
SCHEMBL4814689 1.00 ADRB3 (0.61) ADRB3ADRB1ADRB2CHRM3
SCHEMBL4817733 0.95 ADRB3 (0.58) ADRB3ADRB1ADRB2CHRM3
SCHEMBL4817739 0.95 ADRB3 (0.58) ADRB3ADRB1ADRB2CHRM3
SCHEMBL4815915 0.91 ADRB3 (0.61) ADRB3ADRB1ADRB2CHRM3
SCHEMBL4815904 0.91 ADRB3 (0.61) ADRB3ADRB1ADRB2CHRM3
SCHEMBL4815930 0.89 ADRB3 (0.56) ADRB3ADRB1ADRB2
SCHEMBL4815183 0.88 ADRB3 (0.54) ADRB3ADRB1
SCHEMBL4815169 0.88 ADRB3 (0.54) ADRB3ADRB1
SCHEMBL4818128 0.88 ADRB3 (0.63) ADRB3ADRB1ADRB2CHRM3
SCHEMBL4818117 0.88 ADRB3 (0.63) ADRB3ADRB1ADRB2CHRM3

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 4/4885ADRB2 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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