SCHEMBL1799655

SCHEMBL1799655

O=c1[nH]c2c(O)ccc(C(O)CNCCc3cccc(CCNC4CCCCC4)c3)c2s1

nearest known ligand 0.73

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 20/20 0.73
ADRB1 P08588 18/20 0.73
DRD3 P35462 2/20 0.73
DRD2 P14416 13/20 0.72
ADRA1D P25100 13/20 0.72

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
SCHEMBL1799656 1.00 ADRB2 (0.73) ADRB2ADRB1DRD3DRD2ADRA1D
Hydrochloric Acid SCHEMBL1801633 0.99 ADRB2 (0.72) ADRB2ADRB1DRD3DRD2ADRA1D
Hydrochloric Acid SCHEMBL1801631 0.99 ADRB2 (0.72) ADRB2ADRB1DRD3DRD2ADRA1D
SCHEMBL12619771 0.90 ADRB2 (0.68) ADRB2ADRB1DRD3DRD2ADRA1D
SCHEMBL4717642 0.87 ADRB2 (0.60) ADRB2ADRB1DRD3DRD2ADRA1D
SCHEMBL14423748 0.85 ADRB2 (0.82) ADRB2ADRB1DRD3DRD2ADRA1D
SCHEMBL14423678 0.85 ADRB2 (0.82) ADRB2ADRB1DRD3DRD2ADRA1D
SCHEMBL1803689 0.84 ADRB2 (0.85) ADRB2ADRB1DRD3DRD2ADRA1D
SCHEMBL1803600 0.84 ADRB2 (0.98) ADRB2ADRB1DRD3DRD2ADRA1D
SCHEMBL1800511 0.84 ADRB2 (0.98) ADRB2ADRB1DRD3DRD2ADRA1D

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-7951954-B2 Bezothiazol derivatives as Beta2 adrenoreceptor agonists ASTRAZENECA AB (SE) 2011-05-31 US claimed
US-20090062259-A1 Bezothiazol Derivatives as Beta2 Adrenoreceptor Agonists ASTRAZENECA AB (SE) 2009-03-05 US claimed
US-7951954-B2 Bezothiazol derivatives as Beta2 adrenoreceptor agonists ASTRAZENECA AB (SE) 2011-05-31 US disclosed
US-20090062259-A1 Bezothiazol Derivatives as Beta2 Adrenoreceptor Agonists ASTRAZENECA AB (SE) 2009-03-05 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-20090062259-A1 Bezothiazol Derivatives as Beta2 Adrenoreceptor Agonists ADRB2, ADRB1, ADRB3 ADRB2 1/4885ADRB1 2/4885DRD3 576/4885

“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.