SCHEMBL1801828

SCHEMBL1801828

COCCNCCc1cccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)c1

nearest known ligand 0.92

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 20/20 0.92
ADRB1 P08588 19/20 0.92
ADRA1D P25100 12/20 0.92
DRD2 P14416 11/20 0.92
DRD3 P35462 3/20 0.80

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
SCHEMBL1801825 1.00 ADRB2 (0.92) ADRB2ADRB1ADRA1DDRD2DRD3
SCHEMBL1799537 0.96 ADRB2 (1.00) ADRB2ADRB1ADRA1DDRD2DRD3
SCHEMBL1799536 0.96 ADRB2 (1.00) ADRB2ADRB1ADRA1DDRD2DRD3
Hydrochloric Acid SCHEMBL1802888 0.95 ADRB2 (0.98) ADRB2ADRB1ADRA1DDRD2DRD3
Hydrochloric Acid SCHEMBL1802887 0.95 ADRB2 (0.98) ADRB2ADRB1ADRA1DDRD2DRD3
Trifluoroacetic Acid SCHEMBL1800656 0.93 ADRB2 (0.81) ADRB2ADRB1ADRA1DDRD2DRD3
SCHEMBL1802047 0.90 ADRB2 (0.83) ADRB2ADRB1ADRA1DDRD2DRD3
SCHEMBL1796654 0.90 ADRB2 (0.83) ADRB2ADRB1ADRA1DDRD2DRD3
SCHEMBL1796656 0.90 ADRB2 (0.83) ADRB2ADRB1ADRA1DDRD2DRD3
Hydrochloric Acid SCHEMBL1799589 0.89 ADRB2 (0.81) ADRB2ADRB1ADRA1DDRD2DRD3

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 9 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-7951954-B2 Bezothiazol derivatives as Beta2 adrenoreceptor agonists ASTRAZENECA AB (SE) 2011-05-31 US disclosed
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
US-20090062259-A1 Bezothiazol Derivatives as Beta2 Adrenoreceptor Agonists ASTRAZENECA AB (SE) 2009-03-05 US disclosed
US-20090062259-A1 Bezothiazol Derivatives as Beta2 Adrenoreceptor Agonists ASTRAZENECA AB (SE) 2009-03-05 US disclosed
WO-2007106016-A1 BEZOTHIAZOL DERIVATIVES AS BETA2 ADRENORECEPTOR AGONISTS ASTRAZENECA AB (SE) 2007-09-20 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-20090062259-A1 Bezothiazol Derivatives as Beta2 Adrenoreceptor Agonists ADRB2, ADRB1, ADRB3 ADRB2 1/4885ADRB1 2/4885ADRA1D 10/4885

“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.