SCHEMBL6541583

SCHEMBL6541583

COC(=O)c1ccc(CSc2ccc(CCN(C[C@H](O)c3cccc(Cl)c3)C(=O)OC(C)(C)C)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 15/20 0.40
ADRB1 P08588 12/20 0.40
BACE1 P56817 3/20 0.38
ADRB2 P07550 1/20 0.38
MAPT P10636 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL6541591 1.00 ADRB3 (0.40) ADRB3ADRB1BACE1ADRB2MAPT
SCHEMBL4475758 0.90 ADRB3 (0.49) ADRB3ADRB1ADRB2
SCHEMBL4468491 0.88 ADRB3 (0.52) ADRB3ADRB1BACE1ADRB2
SCHEMBL4468485 0.88 ADRB3 (0.52) ADRB3ADRB1BACE1ADRB2
SCHEMBL6541681 0.87 ADRB3 (0.41) ADRB3ADRB1BACE1ADRB2
SCHEMBL4473928 0.86 ADRB3 (0.48) ADRB3ADRB1ADRB2
SCHEMBL4478428 0.85 ADRB3 (0.54) ADRB3ADRB1BACE1ADRB2
SCHEMBL6805217 0.85 ADRB3 (0.45) ADRB3ADRB1ADRB2
SCHEMBL6541671 0.85 MAPT (0.42) ADRB3ADRB1BACE1ADRB2MAPT
SCHEMBL6541678 0.85 MAPT (0.42) ADRB3ADRB1BACE1ADRB2MAPT

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-20040138462-A1 Aminoalcohol derivatives ASTELLAS PHARMA INC. (JP) 2004-07-15 US disclosed
EP-1389185-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-02-18 EP disclosed
WO-2002094770-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-11-28 WO 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-20040138462-A1 Aminoalcohol derivatives BPHL, FANCD2, HRH2 ADRB3 58/4885ADRB1 7/4885BACE1 3900/4885

“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.