SCHEMBL865931

SCHEMBL865931

CCc1cc2c(cc1CC)CC(N(Cc1ccccc1)C[C@@H](O)c1ccc(OCc3ccccc3)c3[nH]c(=O)ccc13)C2

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 18/20 0.45
ADRB1 P08588 7/20 0.45
DRD3 P35462 3/20 0.45
SLC6A2 P23975 1/20 0.45
ADRA1D P25100 1/20 0.45
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
SLC6A4 P31645 1/20 0.45
ADRA1A P35348 1/20 0.45
ADRA1B P35368 1/20 0.45
SLC6A3 Q01959 1/20 0.45
SRSF6 Q13247 1/20 0.45
CYP1B1 Q16678 1/20 0.45
TMEM97 Q5BJF2 1/20 0.45
DRD2 P14416 2/20 0.38
DRD1 P21728 2/20 0.38
DRD4 P21917 2/20 0.38
ACHE P22303 1/20 0.37
MAOB P27338 1/20 0.37

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
SCHEMBL13865483 0.96 ADRB2 (0.47) ADRB2ADRB1DRD3SLC6A2ADRA1D
SCHEMBL1221242 0.91 ADRB2 (0.38) ADRB2ADRB1DRD3SLC6A2ADRA1D
SCHEMBL1220337 0.88 ADRB2 (0.45) ADRB2ADRB1DRD3SLC6A2ADRA1D
SCHEMBL13868999 0.83 ADRB2 (0.49) ADRB2ADRB1DRD3SLC6A2ADRA1D
SCHEMBL16067282 0.83 ADRB2 (0.49) ADRB2ADRB1DRD3SLC6A2ADRA1D
SCHEMBL867630 0.82 ADRB2 (0.68) ADRB2ADRB1DRD3SLC6A2ADRA1D
SCHEMBL29634634 0.82 ADRB2 (0.68) ADRB2ADRB1DRD3SLC6A2ADRA1D
SCHEMBL30022050 0.82 ADRB2 (0.68) ADRB2ADRB1DRD3SLC6A2ADRA1D
SCHEMBL30410254 0.82 ADRB2 (0.68) ADRB2ADRB1DRD3SLC6A2ADRA1D
SCHEMBL1221324 0.82 ADRB2 (0.68) ADRB2ADRB1DRD3SLC6A2ADRA1D

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 20 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-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-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
EP-1183240-B1 BETA2-ADRENOCEPTOR AGONISTS NOVARTIS AG (CH) 2009-08-19 EP disclosed
US-20050153957-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 NOVARTIS AG (CH) 2005-07-14 US disclosed
US-6878721-B1 N-(partially hydrogenated fused carbocycle)-2-arylethylamine derivatives, e.g., 8-hydroxy-5-(1-hydroxy-2-(indan-2-ylamino)-ethyl)-1H-quinolin-2-one; treatment of obstructive or inflammatory NOVARTIS AG (CH) 2005-04-12 US disclosed
EP-1183240-A1 BETA2-ADRENOCEPTOR AGONISTS Novartis AG (CH) 2002-03-06 EP disclosed
WO-2000075114-A1 BETA2-ADRENOCEPTOR AGONISTS NOVARTIS AG (CH) 2000-12-14 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 (8 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-20110034509-A1 Beta-2-Adrenoreceptor Agonists ADRB2, ADRB1, ADRB3 ADRB2 1/4885ADRB1 2/4885DRD3 286/4885
US-20120077838-A1 Beta-2-Adrenoreceptor Agonists ADRB2, ADRB1, ADRB3 ADRB2 1/4885ADRB1 2/4885DRD3 286/4885
US-20140066478-A1 Beta2-Adrenoreceptor Agonists ADRB2, ADRB1, ADRB3 ADRB2 1/4885ADRB1 2/4885DRD3 325/4885
US-20140343091-A1 BETA2-ADRENOCEPTOR AGONISTS ADRB2, ADRB1, ADRA2A ADRB2 1/4885ADRB1 2/4885DRD3 195/4885
US-20050153957-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 ADRB2 2/4885ADRB1 3/4885DRD3 11/4885
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 ADRB2 2/4885ADRB1 3/4885DRD3 11/4885
US-20130231367-A1 BETA2-ADRENORECEPTOR AGONISTS ADRB2, ADRB1, ADRB3 ADRB2 1/4885ADRB1 2/4885DRD3 297/4885
US-20120302531-A1 beta-2-Adrenoreceptor Agonists ADRB2, ADRB1, ADRB3 ADRB2 1/4885ADRB1 2/4885DRD3 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.