SCHEMBL14030801

SCHEMBL14030801

OCc1cc(C(O)CNCC(O)COc2cccc(OCC(O)CNCC(O)c3ccc(O)c(CO)c3)c2)ccc1O

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 17/20 0.59
ADRB3 P13945 1/20 0.53
ADRB1 P08588 5/20 0.51
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
TSHR P16473 1/20 0.50
NFKB1 P19838 1/20 0.50
HIF1A Q16665 1/20 0.50
ADRA1D P25100 1/20 0.49
TDP1 Q9NUW8 1/20 0.49

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
SCHEMBL7611650 0.79 ADRB3 (0.58) ADRB2ADRB3ADRB1
SCHEMBL7638769 0.77 ADRB3 (0.71) ADRB2ADRB3ADRB1
SCHEMBL4122824 0.75 ADRB2 (0.71) ADRB2ADRB1CYP1A2CYP2D6TSHR
SCHEMBL4866755 0.75 ADRB2 (1.00) ADRB2ADRB3ADRB1CYP1A2CYP2D6
SCHEMBL15677514 0.74 ADRB2 (0.73) ADRB2ADRB1CYP1A2CYP2D6TSHR
SCHEMBL11519458 0.73 MEN1 (0.58) ADRB2ADRB3ADRB1CYP1A2CYP2D6
SCHEMBL6142850 0.73 ADRB2 (1.00) ADRB2ADRB1ADRA1D
SCHEMBL6141175 0.73 ADRB2 (1.00) ADRB2ADRB1ADRA1D
SCHEMBL6142851 0.73 ADRB2 (1.00) ADRB2ADRB1ADRA1D
SCHEMBL4869352 0.72 ADRB2 (1.00) ADRB2ADRB1CYP1A2CYP2D6TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080269344-A1 Beta2-Adrenergic Receptor Agonists THERAVANCE BIOPHARMA R&D IP, LLC 2008-10-30 US disclosed
US-20080269344-A1 Beta2-Adrenergic Receptor Agonists THERAVANCE BIOPHARMA R&D IP, LLC 2008-10-30 US disclosed
US-7427639-B2 β2-adrenergic receptor agonists THERAVANCE, INC. (US) 2008-09-23 US disclosed
US-7427639-B2 β2-adrenergic receptor agonists THERAVANCE, INC. (US) 2008-09-23 US disclosed
US-20070179179-A1 Beta2-adrenergic receptor agonists THERAVANCE BIOPHARMA R&D IP, LLC 2007-08-02 US disclosed
US-20070179179-A1 Beta2-adrenergic receptor agonists THERAVANCE BIOPHARMA R&D IP, LLC 2007-08-02 US disclosed
US-7217738-B2 β2-adrenergic receptor agonists THERAVANCE, INC. (US) 2007-05-15 US disclosed
US-7217738-B2 β2-adrenergic receptor agonists THERAVANCE, INC. (US) 2007-05-15 US disclosed
US-7211695-B2 β2-adrenergic receptor agonists THERAVANCE, INC. (US) 2007-05-01 US disclosed
US-7211695-B2 β2-adrenergic receptor agonists THERAVANCE, INC. (US) 2007-05-01 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 (2 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-20080269344-A1 Beta2-Adrenergic Receptor Agonists ADRB2, ADRB1, ADRA2B ADRB2 1/4885ADRB3 4/4885ADRB1 2/4885
US-20070179179-A1 Beta2-adrenergic receptor agonists ADRB2, ADRB1, ADRA2B ADRB2 1/4885ADRB3 4/4885ADRB1 2/4885

“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.