SCHEMBL1801048

SCHEMBL1801048

COc1ccccc1CCNCc1ccc(CCNC(O)Cc2ccc(O)c3[nH]c(=O)sc23)cc1

nearest known ligand 0.82

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 20/20 0.82
ADRB1 P08588 14/20 0.74
ADRA1D P25100 14/20 0.74
DRD2 P14416 11/20 0.74

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
SCHEMBL1801963 0.94 ADRB2 (0.72) ADRB2ADRB1ADRA1DDRD2
Hydrochloric Acid SCHEMBL1800620 0.93 ADRB2 (0.71) ADRB2ADRB1ADRA1DDRD2
SCHEMBL1799245 0.93 ADRB2 (0.75) ADRB2ADRB1ADRA1DDRD2
SCHEMBL1798744 0.90 ADRB2 (0.69) ADRB2ADRB1ADRA1DDRD2
Hydrochloric Acid SCHEMBL1798567 0.89 ADRB2 (0.68) ADRB2ADRB1ADRA1DDRD2
SCHEMBL1800697 0.89 ADRB2 (0.74) ADRB2ADRB1ADRA1DDRD2
Hydrochloric Acid SCHEMBL1800815 0.89 ADRB2 (0.73) ADRB2ADRB1ADRA1DDRD2
SCHEMBL1803827 0.87 ADRB2 (0.81) ADRB2ADRB1ADRA1DDRD2
SCHEMBL541796 0.87 ADRB2 (0.74) ADRB2ADRB1ADRA1DDRD2
SCHEMBL1799857 0.87 ADRB2 (0.62) ADRB2ADRB1ADRA1DDRD2

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 2/4885ADRA1D 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.