SCHEMBL1622101

SCHEMBL1622101

CC(=O)OCCCS(=O)(=O)NC(=O)c1ccc(-c2ccc(OCCN(C[C@H](O)c3ccccc3)C(=O)OC(C)(C)C)cc2)cc1SC(C)C

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 15/20 0.44
ADRB1 P08588 8/20 0.38
BACE1 P56817 5/20 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
SCHEMBL1622105 1.00 ADRB3 (0.44) ADRB3ADRB1BACE1
SCHEMBL5178403 0.93 ADRB3 (0.46) ADRB3ADRB1BACE1
SCHEMBL1620342 0.85 ADRB3 (0.44) ADRB3ADRB1
SCHEMBL1620339 0.85 ADRB3 (0.44) ADRB3ADRB1
SCHEMBL1622109 0.85 ADRB3 (0.49) ADRB3ADRB1
SCHEMBL1622111 0.85 ADRB3 (0.49) ADRB3ADRB1
SCHEMBL1628497 0.84 ADRB3 (0.53) ADRB3ADRB1
SCHEMBL1622355 0.84 ADRB3 (0.54) ADRB3ADRB1
SCHEMBL5703886 0.80 ADRB3 (0.66) ADRB3ADRB1
SCHEMBL1622455 0.78 ADRB3 (0.46) 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-7928264-B2 Aminoalcohol derivatives ASTELLAS PHARMA INC. (JP) 2011-04-19 US disclosed
US-20080039506-A1 Aminoalcohol Derivatives ASTELLAS PHARMA INC. (JP) 2008-02-14 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-20080039506-A1 Aminoalcohol Derivatives HRH4, HRH2, CBR3 ADRB3 40/4885ADRB1 19/4885BACE1 3227/4885

“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.