SCHEMBL524613

SCHEMBL524613

COc1ccccc1CNCc1cccc(CCNCC(O)c2ccc(O)c3[nH]c(=O)sc23)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 20/20 1.00
ADRB1 P08588 19/20 1.00
ADRA1D P25100 17/20 1.00
DRD2 P14416 16/20 1.00
DRD3 P35462 2/20 0.70

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
SCHEMBL524582 1.00 ADRB2 (1.00) ADRB2ADRB1ADRA1DDRD2DRD3
Hydrochloric Acid SCHEMBL1803276 0.99 ADRB2 (0.98) ADRB2ADRB1ADRA1DDRD2DRD3
Hydrochloric Acid SCHEMBL1803277 0.99 ADRB2 (0.98) ADRB2ADRB1ADRA1DDRD2DRD3
Bromide SCHEMBL524485 0.99 ADRB2 (0.98) ADRB2ADRB1ADRA1DDRD2DRD3
SCHEMBL1800693 0.97 ADRB2 (1.00) ADRB2ADRB1ADRA1DDRD2DRD3
SCHEMBL1800695 0.97 ADRB2 (1.00) ADRB2ADRB1ADRA1DDRD2DRD3
Hydrochloric Acid SCHEMBL1800813 0.96 ADRB2 (0.98) ADRB2ADRB1ADRA1DDRD2DRD3
Hydrochloric Acid SCHEMBL1800814 0.96 ADRB2 (0.98) ADRB2ADRB1ADRA1DDRD2DRD3
Cadaverine Tartrate SCHEMBL1802864 0.96 ADRB2 (0.91) ADRB2ADRB1ADRA1DDRD2DRD3
SCHEMBL1799241 0.95 ADRB2 (1.00) 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 19 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-20150141387-A1 PHARMACEUTICAL PRODUCT COMPRISING A P38 KINASE INHIBITOR AND A SECOND ACTIVE INGREDIENT ASTRAZENECA UK LIMITED (GB) 2015-05-21 US disclosed
US-8969350-B2 Pharmaceutical product comprising a p38 kinase inhibitor and a second active ingredient ASTRAZENECA AB (SE) 2015-03-03 US disclosed
EP-2624838-A1 NOVEL COMBINATIONS AstraZeneca AB (SE) 2013-08-14 EP disclosed
WO-2012046050-A1 NOVEL COMBINATIONS ASTRAZENECA AB (SE) 2012-04-12 WO disclosed
EP-2414376-A1 PHARMACEUTICAL COMPOSITION COMPRISING A STEROIDAL[3,2-C]PYRAZOLE DERIVATIVE AND A SECOND PHARMACEUTICALLY ACTIVE COMPOUND AstraZeneca AB (SE) 2012-02-08 EP disclosed
US-20120028941-A1 Pharmaceutical Product Comprising a P38 Kinase Inhibitor and a Second Active Ingredient ASTRAZENECA UK LIMITED (GB) 2012-02-02 US disclosed
EP-2379174-A1 PHARMACEUTICAL PRODUCT COMPRISING A P38 KINASE INHIBITOR AND A SECOND ACTIVE INGREDIENT AstraZeneca AB (SE) 2011-10-26 EP disclosed
US-7951954-B2 Bezothiazol derivatives as Beta2 adrenoreceptor agonists ASTRAZENECA AB (SE) 2011-05-31 US disclosed
WO-2011061527-A1 COMBINATIONS COMPRISING A GLUCOCORTICOID RECEPTOR MODULATOR FOR THE TREATMENT OF RESPIRATORY DISEASES ASTRAZENECA AB (SE) 2011-05-26 WO disclosed
US-20100261690-A1 NOVEL COMBINATIONS ASTRAZENECA R&D (SE) 2010-10-14 US disclosed
WO-2010114472-A1 PHARMACEUTICAL COMPOSITION COMPRISING A STEROIDAL[3,2-C]PYRAZOLE DERIVATIVE AND A SECOND PHARMACEUTICALLY ACTIVE COMPOUND ASTRAZENECA AB (SE) 2010-10-07 WO disclosed
WO-2010071583-A1 PHARMACEUTICAL PRODUCT COMPRISING A P38 KINASE INHIBITOR AND A SECOND ACTIVE INGREDIENT ASTRAZENECA AB (SE) 2010-06-24 WO disclosed
WO-2009037503-A3 NEW COMBINATION - 012 FOR THE TREATMENT OF RESPIRATORY DISEASES ASTRAZENECA AB (SE) 2009-07-30 WO disclosed
WO-2009037503-A2 NEW COMBINATION - 012 FOR THE TREATMENT OF RESPIRATORY DISEASES ASTRAZENECA AB (SE) 2009-03-26 WO disclosed
US-20090062259-A1 Bezothiazol Derivatives as Beta2 Adrenoreceptor Agonists ASTRAZENECA AB (SE) 2009-03-05 US disclosed
EP-1996566-A1 BEZOTHIAZOL DERIVATIVES AS BETA2 ADRENORECEPTOR AGONISTS AstraZeneca AB (SE) 2008-12-03 EP 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 (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-20100261690-A1 NOVEL COMBINATIONS ADRB2, NR3C2, GRK4 ADRB2 1/4885ADRB1 9/4885ADRA1D 52/4885
US-20150141387-A1 PHARMACEUTICAL PRODUCT COMPRISING A P38 KINASE INHIBITOR AND A SECOND ACTIVE INGREDIENT NR3C2, GRK4, PTGER2 ADRB2 34/4885ADRB1 49/4885ADRA1D 146/4885
US-20090062259-A1 Bezothiazol Derivatives as Beta2 Adrenoreceptor Agonists ADRB2, ADRB1, ADRB3 ADRB2 1/4885ADRB1 2/4885ADRA1D 10/4885
US-20120028941-A1 Pharmaceutical Product Comprising a P38 Kinase Inhibitor and a Second Active Ingredient NR3C2, ARRB1, GRK4 ADRB2 41/4885ADRB1 46/4885ADRA1D 135/4885

“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.