SCHEMBL3834974

SCHEMBL3834974

O=c1[nH]c2c(O)ccc(C(O)CNCCc3ccc(OCCCCc4ccccc4)cc3)c2s1

nearest known ligand 0.82

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 20/20 0.82
ADRB1 P08588 20/20 0.82
DRD3 P35462 5/20 0.82
DRD2 P14416 8/20 0.75
ADRA1D P25100 5/20 0.75

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
SCHEMBL5120384 0.88 ADRB2 (0.87) ADRB2ADRB1DRD3DRD2ADRA1D
SCHEMBL5126179 0.88 ADRB2 (0.87) ADRB2ADRB1DRD3DRD2ADRA1D
SCHEMBL12619713 0.86 ADRB2 (1.00) ADRB2ADRB1DRD3DRD2ADRA1D
Formic Acid SCHEMBL5127981 0.85 ADRB2 (0.83) ADRB2ADRB1DRD3DRD2ADRA1D
Formic Acid SCHEMBL5119445 0.85 ADRB2 (0.83) ADRB2ADRB1DRD3DRD2ADRA1D
SCHEMBL4526989 0.83 ADRB2 (1.00) ADRB2ADRB1DRD3DRD2ADRA1D
SCHEMBL1800392 0.82 ADRB2 (1.00) ADRB2ADRB1DRD3DRD2ADRA1D
SCHEMBL1800389 0.82 ADRB2 (1.00) ADRB2ADRB1DRD3DRD2ADRA1D
SCHEMBL4218708 0.82 ADRB2 (0.95) ADRB2ADRB1DRD3DRD2ADRA1D
SCHEMBL3833821 0.82 ADRB2 (0.56) ADRB2ADRB1DRD3DRD2ADRA1D

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1529038-B1 BENZOTHIAZOLE DERIVATIVES HAVING BETA-2-ADRENORECEPTOR AGONIST ACTIVITY NOVARTIS AG (CH) 2009-10-07 EP claimed
US-20080267886-A1 Such as 8-hydroxy-5-[1-hydroxy-2-(indan-2-ylamino)-ethyl]-1H-quinolin-2-one; for treatment of inflammatory or obstructive airways diseases NOVARTIS AG (CH) 2008-10-30 US claimed
JP-2007538036-A 2007-12-27 JP claimed
EP-1755590-A1 COMBINATIONS OF GLYCOPYRROLATE AND BETA2 ADRENOCEPTOR AGONISTS Novartis AG (CH) 2007-02-28 EP claimed
EP-1715860-A1 COMBINATION OF BENZOTHIAZOL-2-ONE BETA2 ADRENOCEPTOR AGONISTS AND CORTICOSTEROIDS FOR THE TREATMENT OF RESPIRATORY DISEASES Novartis AG (CH) 2006-11-02 EP claimed
WO-2005110402-A1 COMBINATIONS OF GLYCOPYRROLATE AND BETA2 ADRENOCEPTOR AGONISTS NOVARTIS AG (CH) 2005-11-24 WO claimed
WO-2005074924-A1 COMBINATION OF BENZOTHIAZOL-2-ONE BETA2 ADRENOCEPTOR AGONISTS AND CORTICOSTEROIDS FOR THE TREATMENT OF RESPIRATORY DISEASES NOVARTIS AG (CH) 2005-08-18 WO claimed
US-20210236478-A1 Combinations of Glycopyrrolate and Beta2 Adrenoceptor Agonists NOVARTIS AG (CH) 2021-08-05 US disclosed
US-20190282561-A1 Combinations of Glycopyrrolate and Beta2 Adrenoceptor Agonists NOVARTIS AG (CH) 2019-09-19 US disclosed
US-20180071276-A1 Combinations of Glycopyrrolate and Beta2 Adrenoceptor Agonists NOVARTIS AG (CH) 2018-03-15 US disclosed
US-20160101097-A1 Combinations of Glycopyrrolate and Beta2 Adrenoceptor Agonists NOVARTIS AG (CH) 2016-04-14 US disclosed
US-20150065490-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2015-03-05 US disclosed
US-20130237564-A1 Combinations of Glycopyrrolate and Beta2 Adrenoceptor Agonists NOVARTIS AG (CH) 2013-09-12 US disclosed
US-20080267886-A1 Such as 8-hydroxy-5-[1-hydroxy-2-(indan-2-ylamino)-ethyl]-1H-quinolin-2-one; for treatment of inflammatory or obstructive airways diseases NOVARTIS AG (CH) 2008-10-30 US disclosed
US-20070249586-A1 Benzothiazole derivatives having beta-2-adrenoreceptor agonist activity CUENOUD BERNARD 2007-10-25 US disclosed
EP-1755590-A1 COMBINATIONS OF GLYCOPYRROLATE AND BETA2 ADRENOCEPTOR AGONISTS Novartis AG (CH) 2007-02-28 EP disclosed
EP-1715860-A1 COMBINATION OF BENZOTHIAZOL-2-ONE BETA2 ADRENOCEPTOR AGONISTS AND CORTICOSTEROIDS FOR THE TREATMENT OF RESPIRATORY DISEASES Novartis AG (CH) 2006-11-02 EP disclosed
US-20060106075-A1 Benzothiazole derivatives having beta-2-adrenoreceptor agonist activity NOVARTIS AG (CH) 2006-05-18 US disclosed
WO-2005110402-A1 COMBINATIONS OF GLYCOPYRROLATE AND BETA2 ADRENOCEPTOR AGONISTS NOVARTIS AG (CH) 2005-11-24 WO disclosed
WO-2005074924-A1 COMBINATION OF BENZOTHIAZOL-2-ONE BETA2 ADRENOCEPTOR AGONISTS AND CORTICOSTEROIDS FOR THE TREATMENT OF RESPIRATORY DISEASES NOVARTIS AG (CH) 2005-08-18 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 (9 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-20180071276-A1 Combinations of Glycopyrrolate and Beta2 Adrenoceptor Agonists ADRB2, GALR2, GALR3 ADRB2 1/4885ADRB1 5/4885DRD3 484/4885
US-20160101097-A1 Combinations of Glycopyrrolate and Beta2 Adrenoceptor Agonists ADRB2, GALR2, GALR3 ADRB2 1/4885ADRB1 5/4885DRD3 466/4885
US-20210236478-A1 Combinations of Glycopyrrolate and Beta2 Adrenoceptor Agonists ADRB2, GALR2, GALR3 ADRB2 1/4885ADRB1 5/4885DRD3 462/4885
US-20070249586-A1 Benzothiazole derivatives having beta-2-adrenoreceptor agonist activity ADRB2, ADRB1, ADRA2C ADRB2 1/4885ADRB1 2/4885DRD3 711/4885
US-20190282561-A1 Combinations of Glycopyrrolate and Beta2 Adrenoceptor Agonists ADRB2, GALR2, GALR3 ADRB2 1/4885ADRB1 6/4885DRD3 532/4885
US-20060106075-A1 Benzothiazole derivatives having beta-2-adrenoreceptor agonist activity ADRB2, ADRB1, ADRA2C ADRB2 1/4885ADRB1 2/4885DRD3 711/4885
US-20080267886-A1 Such as 8-hydroxy-5-[1-hydroxy-2-(indan-2-ylamino)-ethyl]-1H-quinolin-2-one; for treatment of inflammatory or obstructive airways diseases GALR1, GALR3, GALR2 ADRB2 94/4885ADRB1 109/4885DRD3 1497/4885
US-20130237564-A1 Combinations of Glycopyrrolate and Beta2 Adrenoceptor Agonists ADRB2, GALR2, GALR3 ADRB2 1/4885ADRB1 5/4885DRD3 484/4885
US-20150065490-A1 ORGANIC COMPOUNDS ADRB2, ADRA2C, ADRB1 ADRB2 1/4885ADRB1 3/4885DRD3 623/4885

“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.