SCHEMBL6133680

SCHEMBL6133680

CC(C)(C)OC(=O)N(C[C@H](O)c1ccc(Cl)nc1)[C@H]1CCc2ccc(OS(=O)(=O)C(F)(F)F)cc2C1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 10/20 0.45
ADRB1 P08588 6/20 0.45
DRD2 P14416 4/20 0.40
DRD3 P35462 4/20 0.40
HTR1D P28221 2/20 0.40
DRD4 P21917 2/20 0.33
MCHR1 Q99705 1/20 0.33

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
SCHEMBL6133683 1.00 ADRB3 (0.45) ADRB3ADRB1DRD2DRD3HTR1D
SCHEMBL6133684 1.00 ADRB3 (0.45) ADRB3ADRB1DRD2DRD3HTR1D
SCHEMBL6134668 0.90 DRD2 (0.39) ADRB3ADRB1DRD2DRD3HTR1D
SCHEMBL6134663 0.90 DRD2 (0.39) ADRB3ADRB1DRD2DRD3HTR1D
SCHEMBL6134670 0.90 DRD2 (0.39) ADRB3ADRB1DRD2DRD3HTR1D
SCHEMBL6133525 0.90 DRD2 (0.42) ADRB3ADRB1DRD2DRD3HTR1D
SCHEMBL6133526 0.90 DRD2 (0.42) ADRB3ADRB1DRD2DRD3HTR1D
SCHEMBL6133528 0.90 DRD2 (0.42) ADRB3ADRB1DRD2DRD3HTR1D
SCHEMBL6134247 0.87 DRD2 (0.43) ADRB3ADRB1DRD2DRD3HTR1D
SCHEMBL6134250 0.87 DRD2 (0.43) ADRB3ADRB1DRD2DRD3HTR1D

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-20050090669-A1 Aminoalcohol derivatives as beta-3 adrenergic receptor agonists ASTELLAS PHARMA INC. (JP) 2005-04-28 US disclosed
EP-1483236-A1 AMINOALCOHOL DERIVATIVES AS BETA-3 ADRENERGIC RECEPTOR AGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-12-08 EP disclosed
WO-2003076397-A1 AMINOALCOHOL DERIVATIVES AS BETA-3 ADRENERGIC RECEPTOR AGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-09-18 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-20050090669-A1 Aminoalcohol derivatives as beta-3 adrenergic receptor agonists ADRB2, ADRB1, ADRB3 ADRB3 3/4885ADRB1 2/4885DRD2 130/4885

“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.