SCHEMBL1803582

SCHEMBL1803582

NCC(O)c1ccc(O)c2[nH]c(=O)sc12

nearest known ligand 0.71

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 19/20 0.71
ADRB1 P08588 19/20 0.71
DRD3 P35462 2/20 0.57
DRD2 P14416 1/20 0.54
ADRA1D P25100 1/20 0.54

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
SCHEMBL1803584 1.00 ADRB2 (0.71) ADRB2ADRB1DRD3DRD2ADRA1D
Hydrochloric Acid SCHEMBL1180240 0.98 ADRB2 (0.69) ADRB2ADRB1DRD3DRD2ADRA1D
Hydrochloric Acid SCHEMBL1796166 0.98 ADRB2 (0.69) ADRB2ADRB1DRD3DRD2ADRA1D
Acetic Acid SCHEMBL1801841 0.93 ADRB2 (0.67) ADRB2ADRB1DRD3DRD2ADRA1D
Acetic Acid SCHEMBL1803737 0.93 ADRB2 (0.67) ADRB2ADRB1DRD3DRD2ADRA1D
SCHEMBL14291930 0.88 ADRB2 (0.75) ADRB2ADRB1DRD3
SCHEMBL13754327 0.84 ADRB2 (0.66) ADRB2ADRB1DRD3DRD2ADRA1D
SCHEMBL13711689 0.84 ADRB2 (0.54) ADRB2ADRB1DRD3
SCHEMBL14027825 0.83 ADRB2 (1.00) ADRB2ADRB1DRD3
SCHEMBL14382684 0.83 ADRB2 (1.00) ADRB2ADRB1DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107074816-B Heterocyclic derivative, preparation method and medical application thereof 四川海思科制药有限公司 2020-07-17 CN disclosed
CN-107108562-B With β2ReceptorsNitrogen-containing heterocyclic ring derivative with agonistic and M receptor antagonistic activities and application thereof in medicine 四川海思科制药有限公司 2020-07-10 CN disclosed
CN-107074816-A A kind of Hete rocyclic derivatives and preparation method thereof and in purposes pharmaceutically 四川海思科制药有限公司 2017-08-18 CN disclosed
US-20160002261-A1 Process ASTRAZENECA AB (SE) 2016-01-07 US disclosed
US-20160002261-A1 Process ASTRAZENECA AB (SE) 2016-01-07 US disclosed
US-8629271-B2 Compounds ASTRAZENECA AB (GB) 2014-01-14 US disclosed
US-20120322788-A1 Compouds PULMAGEN THERAPEUTICS (SYNERGY) LIMITED (GB) 2012-12-20 US disclosed
WO-2012156693-A1 PROCESS ASTRAZENECA AB (SE) 2012-11-22 WO disclosed
EP-2242759-B1 COMPOUNDS ASTRAZENECA AB (SE) 2012-09-12 EP disclosed
US-8148373-B2 Compounds ASTRAZENECA AB (SE) 2012-04-03 US disclosed
US-7951954-B2 Bezothiazol derivatives as Beta2 adrenoreceptor agonists ASTRAZENECA AB (SE) 2011-05-31 US disclosed
EP-1937656-A4 7-(2-AMINO-1-HYDROXY-ETHYL)-4-HYDROXYBENZOTHIAZOL-2(3H)-ONE-DERIVATIVES AS BETA 2 ADRENOCEPTOR AGONISTS ASTRAZENECA AB (SE) 2010-05-05 EP disclosed
US-20090298807-A1 Compounds ASTRAZENECA AB (SE) 2009-12-03 US disclosed
US-20090062259-A1 Bezothiazol Derivatives as Beta2 Adrenoreceptor Agonists ASTRAZENECA AB (SE) 2009-03-05 US disclosed
EP-1957471-A1 7-(2-AMINO-1-HYDROXY-ETHYL)-4-HYDROXYBENZOTHIAZOL-2(3H)-ONE-DERIVATIVES AS 2 ADRENOCEPTOR AGONISTS AstraZeneca AB (SE) 2008-08-20 EP disclosed
EP-1937656-A1 7-(2-AMINO-1-HYDROXY-ETHYL)-4-HYDROXYBENZOTHIAZOL-2(3H)-ONE-DERIVATIVES AS BETA 2 ADRENOCEPTOR AGONISTS AstraZeneca AB (SE) 2008-07-02 EP disclosed
WO-2008023157-A1 NITROGEN CONTAINING HETEROCYCLIC COMPOUNDS USEFUL AS M3-RECEPTOR MODULATORS ARGENTA DISCOVERY LIMITED (GB) 2008-02-28 WO disclosed
WO-2007027134-A1 7-(2-AMINO-1-HYDROXY-ETHYL)-4-HYDROXYBENZOTHIAZOL-2(3H)-ONE-DERIVATIVES AS β2 ADRENOCEPTOR AGONISTS ASTRAZENECA AB (SE) 2007-03-08 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 (4 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-20120322788-A1 Compouds PKD1, SBDS, ABCB11 ADRB2 1366/4885ADRB1 970/4885DRD3 598/4885
US-20090062259-A1 Bezothiazol Derivatives as Beta2 Adrenoreceptor Agonists ADRB2, ADRB1, ADRB3 ADRB2 1/4885ADRB1 2/4885DRD3 576/4885
US-20090298807-A1 Compounds PKD1, SLC10A1, ABCB11 ADRB2 218/4885ADRB1 199/4885DRD3 2985/4885
US-20160002261-A1 Process CYP1A2, CYP11B2, CYP2F1 ADRB2 1674/4885ADRB1 2749/4885DRD3 4370/4885

“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.