SCHEMBL9909635

SCHEMBL9909635

Cc1ccc(O)c2c1CC(=O)N2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.55
DRD4 P21917 6/20 0.55
DRD3 P35462 6/20 0.55
DRD1 P21728 2/20 0.55
DRD5 P21918 2/20 0.55
RAB9A P51151 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MAOA P21397 4/20 0.40
MAOB P27338 3/20 0.40
SRC P12931 1/20 0.38
CCNB2 O95067 2/20 0.37
CDK1 P06493 2/20 0.37
CCNB1 P14635 2/20 0.37
GSK3B P49841 2/20 0.37
CCNB3 Q8WWL7 2/20 0.37
MAPT P10636 1/20 0.33
AHR P35869 1/20 0.33
ADRB1 P08588 2/20 0.33
ADRB2 P07550 1/20 0.33
HTR2A P28223 1/20 0.33

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
SCHEMBL7527765 0.84 DRD2 (0.38) DRD2DRD4DRD3DRD1DRD5
SCHEMBL22691798 0.78 DRD2 (0.37) DRD2DRD4DRD3DRD1DRD5
SCHEMBL11171775 0.75 DRD2 (0.52) DRD2DRD4DRD3DRD1DRD5
SCHEMBL96585 0.73 MAOA (0.39) DRD2DRD4DRD3DRD1DRD5
SCHEMBL13672485 0.73 DRD2 (0.50) DRD2DRD4DRD3DRD1DRD5
SCHEMBL10712171 0.73 CCNB2 (0.47) RAB9ANPSR1CCNB2CDK1CCNB1
SCHEMBL10711508 0.73 TDP2 (0.43) RAB9ANPSR1CCNB2CDK1CCNB1
SCHEMBL3484935 0.72 AHR (0.50) DRD2DRD4DRD3DRD1DRD5
SCHEMBL10923362 0.71 DRD2 (1.00) DRD2DRD4DRD3DRD1DRD5
SCHEMBL7091144 0.71 DRD2 (0.47) DRD2DRD4DRD3DRD1DRD5

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-9040559-B2 BETA2-adrenoceptor agonists NOVARTIS AG (CH) 2015-05-26 US disclosed
US-20140343091-A1 BETA2-ADRENOCEPTOR AGONISTS NOVARTIS AG (CH) 2014-11-20 US disclosed
US-8796307-B2 Beta2-adrenoreceptor agonists NOVARTIS AG (CH) 2014-08-05 US disclosed
US-20140066478-A1 Beta2-Adrenoreceptor Agonists NOVARTIS AG (CH) 2014-03-06 US disclosed
US-8658673-B2 BETA2-adrenoreceptor agonists NOVARTIS AG (CH) 2014-02-25 US disclosed
US-20130231367-A1 BETA2-ADRENORECEPTOR AGONISTS NOVARTIS AG (CH) 2013-09-05 US disclosed
US-8436017-B2 Beta-2-adrenoreceptor agonists NOVARTIS AG (CH) 2013-05-07 US disclosed
US-20120302531-A1 beta-2-Adrenoreceptor Agonists CUENOUD BERNARD (GB) 2012-11-29 US disclosed
US-8283362-B2 Beta-2-adrenoreceptor agonists NOVARTIS AG (CH) 2012-10-09 US disclosed
US-20120142646-A1 Novel Compounds 621 ASTRAZENECA AB (SE) 2012-06-07 US disclosed
US-20120142646-A1 Novel Compounds 621 ASTRAZENECA AB (SE) 2012-06-07 US disclosed
US-20120077838-A1 Beta-2-Adrenoreceptor Agonists CUENOUD BERNARD (GB) 2012-03-29 US disclosed
US-8067437-B2 Beta-2-adrenoreceptor agonists NOVARTIS AG (CH) 2011-11-29 US disclosed
US-20110034509-A1 Beta-2-Adrenoreceptor Agonists CUENOUD BERNARD 2011-02-10 US disclosed
US-7820694-B2 Administering an aminoindanyl derivative and; a steroid, dopamine receptor agonist or an anticholinergic or antimuscarinic agent; respiratory system disorders, antiallergens, chronic obstructive pulmonary disease, adult respiratory distress syndrome, bronchitis NOVARTIS AG (CH) 2010-10-26 US disclosed
US-20100056508-A1 AMINE DERIVATIVES AND THEIR USE IN BETA-2-ADRENORECEPTOR MEDIATED DISEASES ASTRAZENECA AB (SE) 2010-03-04 US disclosed
US-20100056508-A1 AMINE DERIVATIVES AND THEIR USE IN BETA-2-ADRENORECEPTOR MEDIATED DISEASES ASTRAZENECA AB (SE) 2010-03-04 US disclosed
US-20100029705-A1 Administering an aminoindanyl derivative and; a steroid, dopamine receptor agonist or an anticholinergic or antimuscarinic agent; respiratory system disorders, antiallergens, chronic obstructive pulmonary disease, adult respiratory distress syndrome, bronchitis CUENOUD BERNARD 2010-02-04 US disclosed
US-7622483-B2 Administering an aminoindanyl derivative and; a steroid, dopamine receptor agonist or an anticholinergic or antimuscarinic agent; respiratory system disorders, antiallergens, chronic obstructive pulmonary disease, adult respiratory distress syndrome, bronchitis NOVARTIS AG (CH) 2009-11-24 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 (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-20120142646-A1 Novel Compounds 621 AR, ADRA1D, ADRA1B DRD2 23/4885DRD4 53/4885DRD3 41/4885
US-20110034509-A1 Beta-2-Adrenoreceptor Agonists ADRB2, ADRB1, ADRB3 DRD2 240/4885DRD4 675/4885DRD3 286/4885
US-20120077838-A1 Beta-2-Adrenoreceptor Agonists ADRB2, ADRB1, ADRB3 DRD2 240/4885DRD4 675/4885DRD3 286/4885
US-20140066478-A1 Beta2-Adrenoreceptor Agonists ADRB2, ADRB1, ADRB3 DRD2 248/4885DRD4 622/4885DRD3 325/4885
US-20100056508-A1 AMINE DERIVATIVES AND THEIR USE IN BETA-2-ADRENORECEPTOR MEDIATED DISEASES ADRB2, ADRB1, ADRA2A DRD2 18/4885DRD4 76/4885DRD3 46/4885
US-20140343091-A1 BETA2-ADRENOCEPTOR AGONISTS ADRB2, ADRB1, ADRA2A DRD2 121/4885DRD4 379/4885DRD3 195/4885
US-20100029705-A1 Administering an aminoindanyl derivative and; a steroid, dopamine receptor agonist or an anticholinergic or antimuscarinic agent; respiratory system disorders, antiallergens, chronic obstructive pulmonary disease, adult respiratory distress syndrome, bronchitis ADRB3, ADRB2, ADRB1 DRD2 12/4885DRD4 30/4885DRD3 11/4885
US-20130231367-A1 BETA2-ADRENORECEPTOR AGONISTS ADRB2, ADRB1, ADRB3 DRD2 268/4885DRD4 621/4885DRD3 297/4885
US-20120302531-A1 beta-2-Adrenoreceptor Agonists ADRB2, ADRB1, ADRB3 DRD2 240/4885DRD4 675/4885DRD3 286/4885

“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.