SCHEMBL4583845

SCHEMBL4583845

COC(=O)c1ccc(-c2ccc(CCN(C[C@@H](O)c3ccccc3)C(=O)OC(C)(C)C)cc2)cc1SC

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 14/20 0.43
BACE1 P56817 5/20 0.41
ADRB1 P08588 5/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL4583840 1.00 ADRB3 (0.43) ADRB3BACE1ADRB1KDM4EALDH1A1
SCHEMBL4583226 0.92 ADRB3 (0.42) ADRB3BACE1ADRB1KDM4EALDH1A1
SCHEMBL4583218 0.92 ADRB3 (0.42) ADRB3BACE1ADRB1KDM4EALDH1A1
SCHEMBL4583714 0.92 ADRB3 (0.54) ADRB3BACE1ADRB1
SCHEMBL4471875 0.92 ADRB3 (0.54) ADRB3BACE1ADRB1
SCHEMBL4582778 0.88 BACE1 (0.42) ADRB3BACE1ADRB1KDM4EALDH1A1
SCHEMBL4583941 0.86 BACE1 (0.43) ADRB3BACE1ADRB1KDM4EALDH1A1
SCHEMBL4584779 0.86 ADRB3 (0.54) ADRB3BACE1ADRB1
SCHEMBL4585455 0.86 ADRB3 (0.52) ADRB3BACE1ADRB1KDM4EALDH1A1
SCHEMBL4583939 0.86 BACE1 (0.43) ADRB3BACE1ADRB1KDM4EALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7417060-B2 Aminoalcohol derivatives ASTELLAS PHARMA INC. (JP) 2008-08-26 US disclosed
EP-1697301-A2 AMINOALCOHOL DERIVATIVES Astellas Pharma Inc. (JP) 2006-09-06 EP disclosed
WO-2005061433-A2 AMINOALCOHOL DERIVATIVES ASTELLAS PHARMA INC. (JP) 2005-07-07 WO disclosed
US-20050137236-A1 Aminoalcohol derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-06-23 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-20050137236-A1 Aminoalcohol derivatives GPR39, PRMT9, CHRM2 ADRB3 86/4885BACE1 3089/4885ADRB1 70/4885

“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.