Indacaterol

Indacaterol

SCHEMBL4186345

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ADRB2

The experimentally established mechanism targets of Indacaterol. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 known ✓ P07550 19/20 1.00
ADRB1 P08588 10/20 1.00
SLC6A2 P23975 1/20 1.00
ADRA1D P25100 1/20 1.00
HTR2A P28223 1/20 1.00
HTR2C P28335 1/20 1.00
SLC6A4 P31645 1/20 1.00
ADRA1A P35348 1/20 1.00
ADRA1B P35368 1/20 1.00
DRD3 P35462 1/20 1.00
SLC6A3 Q01959 1/20 1.00
SRSF6 Q13247 1/20 1.00
CYP1B1 Q16678 1/20 1.00
TMEM97 Q5BJF2 1/20 1.00
KDM4E B2RXH2 1/20 0.51
MEN1 O00255 1/20 0.51
LMNA P02545 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51

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
Indacaterol SCHEMBL29350045 1.00 ADRB2 (1.00) ADRB2ADRB1SLC6A2ADRA1DHTR2A
Indacaterol SCHEMBL29367297 1.00 ADRB2 (1.00) ADRB2ADRB1SLC6A2ADRA1DHTR2A
Indacaterol SCHEMBL29798949 1.00 ADRB2 (1.00) ADRB2ADRB1SLC6A2ADRA1DHTR2A
Indacaterol SCHEMBL48098 1.00 ADRB2 (1.00) ADRB2ADRB1SLC6A2ADRA1DHTR2A
Indacaterol SCHEMBL159597 1.00 ADRB2 (1.00) ADRB2ADRB1SLC6A2ADRA1DHTR2A
Indacaterol SCHEMBL867571 0.99 ADRB2 (0.98) ADRB2ADRB1SLC6A2ADRA1DHTR2A
Indacaterol SCHEMBL3664612 0.99 ADRB2 (0.98) ADRB2ADRB1SLC6A2ADRA1DHTR2A
Indacaterol SCHEMBL4012030 0.99 ADRB2 (0.98) ADRB2ADRB1SLC6A2ADRA1DHTR2A
Indacaterol SCHEMBL867570 0.99 ADRB2 (0.98) ADRB2ADRB1SLC6A2ADRA1DHTR2A
Indacaterol SCHEMBL4012026 0.99 ADRB2 (0.98) ADRB2ADRB1SLC6A2ADRA1DHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2332915-B1 Beta2-adrenoceptor agonists NOVARTIS AG (CH) 2013-02-27 EP claimed
EP-1183240-B1 BETA2-ADRENOCEPTOR AGONISTS NOVARTIS AG (CH) 2009-08-19 EP claimed
US-11564970-B2 Compositions and methods for combinatorial drug discovery in nanoliter droplets THE BROAD INSTITUTE, INC. (US) 2023-01-31 US disclosed
US-20200353033-A1 COMPOSITIONS AND METHODS FOR COMBINATORIAL DRUG DISCOVERY IN NANOLITER DROPLETS THE BROAD INSTITUTE, INC. (US) 2020-11-12 US disclosed
EP-3247693-B1 PROCESS FOR THE PREPARATION OF INDANAMINE DERIVATIVES AND NEW SYNTHESIS INTERMEDIATES OLON SPA (IT) 2019-09-04 EP disclosed
EP-3347345-B1 MIXED SOLVATE OF (R)-5-[2-(5,6-DIETHYLINDAN-2-YLAMINO)-1-HYDROXYETHYL]-8-HYDROXY-1H-QUINOLIN-2-ONE L-TARTRATE INKE SA (ES) 2019-07-31 EP disclosed
US-10227305-B2 Process for preparing indacaterol and salts thereof REDDY, G. Pratap (IN) 2019-03-12 US disclosed
US-20180215714-A1 A Process for Preparing Indacaterol and Salts Thereof REDDY, G. Pratap (IN) 2018-08-02 US disclosed
US-20180215714-A1 A Process for Preparing Indacaterol and Salts Thereof REDDY, G. Pratap (IN) 2018-08-02 US disclosed
US-20170362161-A1 PROCESS FOR THE PREPARATION OF INDANAMINE DERIVATIVES AND NEW SYNTHESIS INTERMEDIATES OLON S.P.A. (IT) 2017-12-21 US disclosed
WO-2016116857-A1 PROCESS FOR THE PREPARATION OF INDANAMINE DERIVATIVES AND NEW SYNTHESIS INTERMEDIATES LABORATORIO CHIMICO INTERNAZIONALE S.P.A. (IT) 2016-07-28 WO disclosed
WO-2016027283-A2 A PROCESS FOR PREPARING INDACATEROL AND SALTS THEREOF REDDY G PRATAP (IN) 2016-02-25 WO disclosed
US-20140329814-A2 Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases VERTEX PHARMA (US) 2014-11-06 US disclosed
US-20140329814-A2 Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases VERTEX PHARMA (US) 2014-11-06 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 (6 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-20180215714-A1 A Process for Preparing Indacaterol and Salts Thereof CYP11B1, CYP4A11, CYP17A1 ADRB2 181/4885ADRB1 109/4885SLC6A2 2324/4885
US-10227305-B2 Process for preparing indacaterol and salts thereof CYP4A11, HSD17B7, CYP17A1 ADRB2 173/4885ADRB1 107/4885SLC6A2 1880/4885
US-20140329814-A2 Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases CFTR, SLC26A4, ABCB11 ADRB2 552/4885ADRB1 435/4885SLC6A2 287/4885
US-20170362161-A1 PROCESS FOR THE PREPARATION OF INDANAMINE DERIVATIVES AND NEW SYNTHESIS INTERMEDIATES CYP3A5, SQLE, CYP3A4 ADRB2 83/4885ADRB1 61/4885SLC6A2 665/4885
US-20200353033-A1 COMPOSITIONS AND METHODS FOR COMBINATORIAL DRUG DISCOVERY IN NANOLITER DROPLETS RAB5IF, CLTB, TBK1 ADRB2 4023/4885ADRB1 3643/4885SLC6A2 4383/4885
US-11564970-B2 Compositions and methods for combinatorial drug discovery in nanoliter droplets RAB5IF, LIPA, CLTB ADRB2 3873/4885ADRB1 3350/4885SLC6A2 4585/4885

“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.