SCHEMBL6541582

SCHEMBL6541582

CC(C)(C)OC(=O)N(CCc1ccc(Sc2ccc(C#N)cc2)cc1)C[C@H](O)c1cccc(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 11/20 0.44
BACE1 P56817 3/20 0.38
ADRB1 P08588 6/20 0.36
EP300 Q09472 1/20 0.34
SLC2A1 P11166 1/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
CTSL P07711 1/20 0.34
ADRB2 P07550 1/20 0.34
ADRA1D P25100 1/20 0.34
ADRA1A P35348 1/20 0.34
ADRA1B P35368 1/20 0.34

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
SCHEMBL6541595 1.00 ADRB3 (0.44) ADRB3BACE1ADRB1EP300SLC2A1
SCHEMBL6541590 1.00 ADRB3 (0.44) ADRB3BACE1ADRB1EP300SLC2A1
SCHEMBL4472057 0.90 ADRB3 (0.45) ADRB3BACE1ADRB1SLC2A1ADRB2
SCHEMBL4472051 0.90 ADRB3 (0.45) ADRB3BACE1ADRB1SLC2A1ADRB2
SCHEMBL6241306 0.90 ADRB3 (0.45) ADRB3BACE1ADRB1SLC2A1ADRB2
SCHEMBL6539637 0.89 ADRB3 (0.39) ADRB3BACE1ADRB1ADRB2
SCHEMBL6539642 0.89 ADRB3 (0.39) ADRB3BACE1ADRB1ADRB2
SCHEMBL6539649 0.89 ADRB3 (0.39) ADRB3BACE1ADRB1ADRB2
SCHEMBL6677313 0.87 ADRB3 (0.45) ADRB3BACE1ADRB1SLC2A1
SCHEMBL4461459 0.87 ADRB3 (0.61) ADRB3BACE1ADRB1ADRB2ADRA1D

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 58/4885BACE1 3900/4885ADRB1 7/4885

“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.