SCHEMBL3839006

SCHEMBL3839006

CC(C)Oc1nc2c(OC(C)(C)C)ccc([C@@H](O)CNC(C)(C)Cc3ccccc3)c2s1

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 8/20 0.47
ADRB1 P08588 6/20 0.47
ADRB3 P13945 2/20 0.43
CASR P41180 8/20 0.36

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
SCHEMBL27530769 1.00 ADRB2 (0.47) ADRB2ADRB1ADRB3CASR
SCHEMBL4502321 0.82 KCNH2 (0.34) ADRB2ADRB1
SCHEMBL4502328 0.82 KCNH2 (0.34) ADRB2ADRB1
SCHEMBL4560173 0.82 KCNH2 (0.34) ADRB2ADRB1
SCHEMBL4502326 0.82 KCNH2 (0.34) ADRB2ADRB1
SCHEMBL615848 0.81 ADRB1 (0.43) ADRB2ADRB1ADRB3CASR
SCHEMBL27717030 0.81 ADRB1 (0.43) ADRB2ADRB1ADRB3CASR
SCHEMBL615826 0.81 ADRB1 (0.43) ADRB2ADRB1ADRB3CASR
SCHEMBL3838321 0.80 ACACB (0.34)
SCHEMBL13976846 0.80 ACACB (0.34)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150065490-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2015-03-05 US disclosed
EP-1529038-B1 BENZOTHIAZOLE DERIVATIVES HAVING BETA-2-ADRENORECEPTOR AGONIST ACTIVITY NOVARTIS AG (CH) 2009-10-07 EP disclosed
US-20070249586-A1 Benzothiazole derivatives having beta-2-adrenoreceptor agonist activity CUENOUD BERNARD 2007-10-25 US disclosed
CN-1301980-C Benzothiazole derivatives having beta-2-adrenoreceptor agonist activity NOVARTIS AG (CH) 2007-02-28 CN disclosed
CN-1917875-A Combination of benzothiazol-2-one beta2 adrenoceptor agonists and corticosteroids for the treatment of respiratory diseases NOVARTIS AG (CH) 2007-02-21 CN disclosed
US-20060106075-A1 Benzothiazole derivatives having beta-2-adrenoreceptor agonist activity NOVARTIS AG (CH) 2006-05-18 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 (3 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-20070249586-A1 Benzothiazole derivatives having beta-2-adrenoreceptor agonist activity ADRB2, ADRB1, ADRA2C ADRB2 1/4885ADRB1 2/4885ADRB3 5/4885
US-20060106075-A1 Benzothiazole derivatives having beta-2-adrenoreceptor agonist activity ADRB2, ADRB1, ADRA2C ADRB2 1/4885ADRB1 2/4885ADRB3 5/4885
US-20150065490-A1 ORGANIC COMPOUNDS ADRB2, ADRA2C, ADRB1 ADRB2 1/4885ADRB1 3/4885ADRB3 5/4885

“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.