SCHEMBL1973360

SCHEMBL1973360

O=c1ccc2c([C@@H](O)CCl)ccc(OCc3ccccc3)c2[nH]1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 17/20 0.46
ADRB1 P08588 12/20 0.46
DRD2 P14416 2/20 0.43
DRD1 P21728 2/20 0.43
DRD4 P21917 2/20 0.43
DRD3 P35462 2/20 0.43

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
SCHEMBL865904 1.00 ADRB2 (0.46) ADRB2ADRB1DRD2DRD1DRD4
SCHEMBL5179147 1.00 ADRB2 (0.46) ADRB2ADRB1DRD2DRD1DRD4
SCHEMBL1206182 0.89 ADRB2 (0.47) ADRB2ADRB1DRD2DRD1DRD4
SCHEMBL18993729 0.89 ADRB2 (0.49) ADRB2ADRB1DRD2DRD1DRD4
SCHEMBL2795110 0.89 ADRB2 (0.47) ADRB2ADRB1DRD2DRD1DRD4
SCHEMBL2568651 0.88 ADRB2 (0.46) ADRB2ADRB1DRD2DRD1DRD4
SCHEMBL30490482 0.88 ADRB2 (0.46) ADRB2ADRB1DRD2DRD1DRD4
SCHEMBL18993739 0.88 ADRB2 (0.46) ADRB2ADRB1DRD2DRD1DRD4
SCHEMBL18946383 0.88 ADRB2 (0.48) ADRB2ADRB1DRD2DRD1DRD4
SCHEMBL99134 0.88 ADRB2 (0.46) ADRB2ADRB1DRD2DRD1DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120220775-A1 ENANTIOSELECTIVE PREPARATION OF QUINOLINE DERIVATIVES LOHSE OLIVIER (FR) 2012-08-30 US claimed
EP-1791820-B1 ENANTIOSELECTIVE PREPARATION OF QUINOLINE DERIVATIVES NOVARTIS AG (CH) 2009-12-02 EP claimed
US-20090054653-A1 ENANTIOSELEKTIVE PREPARATION OF QUINOLINE DERIVATIVE LOHSE OLIVIER 2009-02-26 US claimed
EP-1791820-A2 ENANTIOSELECTIVE PREPARATION OF QUINOLINE DERIVATIVES Novartis AG (CH) 2007-06-06 EP claimed
WO-2005123684-A2 ENANTIOSELEKTIVE PREPARATION OF QUINOLINE DERIVATIVE NOVARTIS AG (CH) 2005-12-29 WO claimed
EP-3138837-B1 INDACATEROL FREE BASE IN SOLID FORM CRYSTAL PHARMA SAU (ES) 2021-11-24 EP disclosed
EP-3848354-A1 PROCESS FOR THE PREPARATION OF INDACATEROL AND INTERMEDIATES THEREOF Crystal Pharma, S.A.U. (ES) 2021-07-14 EP disclosed
EP-3848354-A1 PROCESS FOR THE PREPARATION OF INDACATEROL AND INTERMEDIATES THEREOF Crystal Pharma, S.A.U. (ES) 2021-07-14 EP disclosed
US-10040765-B2 Methods for the preparation of indacaterol and pharmaceutically acceptable salts thereof CRYSTAL PHARMA S.A.U. (ES) 2018-08-07 US disclosed
US-10040765-B2 Methods for the preparation of indacaterol and pharmaceutically acceptable salts thereof CRYSTAL PHARMA S.A.U. (ES) 2018-08-07 US disclosed
US-10040765-B2 Methods for the preparation of indacaterol and pharmaceutically acceptable salts thereof CRYSTAL PHARMA S.A.U. (ES) 2018-08-07 US disclosed
EP-2897937-B1 PROCESS FOR THE PREPARATION OF INDACATEROL AND INTERMEDIATES THEREOF CRYSTAL PHARMA SAU (ES) 2017-12-06 EP disclosed
EP-1613599-A1 A PROCESS FOR THE PREPARATION OF 5-(HALOACETYL)-8-(SUBSTITUTED OXY)-(1H)-QUINOLIN-2-ONES Novartis AG (CH) 2006-01-11 EP disclosed
WO-2005123684-A2 ENANTIOSELEKTIVE PREPARATION OF QUINOLINE DERIVATIVE NOVARTIS AG (CH) 2005-12-29 WO disclosed
EP-1599450-A1 PROCESS FOR PREPARING 5-\"(R)-2-(5,6-DIETHYL-INDIAN-2-YLAMIN O)-1-HYDROXY-ETHYL!-8-HYDROXY-(1H)-QUINOLIN-2-ONE SALT, USEFUL AS AN ADRENOCEPTOR AGONIST Novartis AG (CH) 2005-11-30 EP disclosed
WO-2004087668-A1 A PROCESS FOR THE PREPARATION OF 5-(HALOACETYL)-8-(SUBSTITUTED OXY)-(1H)-QUINOLIN-2-ONES NOVARTIS AG (CH) 2004-10-14 WO disclosed
WO-2004076422-A1 PROCESS FOR PREPARING 5-‘(R)-2-(5,6-DIETHYL-INDIAN-2-YLAMINO)-1-HYDROXY-ETHYL!-8-HYDROXY-(1H)-QUINOLIN-2-ONE SALT, USEFUL AS AN ADRENOCEPTOR AGONIST NOVARTIS AG (CH) 2004-09-10 WO disclosed
US-5750701-A Heterocyclic ethanolamine derivatives with β-adrenoreceptor agonistic activity SMITHKLINE BEECHAM PLC (GB) 1998-05-12 US disclosed
EP-0750617-A1 NOVEL HETEROCYCLIC ETHANOLAMINE DERIVATIVES WITH BETA-ADRENORECEPTOR AGONISTIC ACTIVITY SMITHKLINE BEECHAM PLC (GB) 1997-01-02 EP disclosed
WO-1995025104-A1 NOVEL HETEROCYCLIC ETHANOLAMINE DERIVATIVES WITH BETA-ADRENORECEPTOR AGONISTIC ACTIVITY SMITHKLINE BEECHAM P.L.C. (GB) 1995-09-21 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 (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-20090054653-A1 ENANTIOSELEKTIVE PREPARATION OF QUINOLINE DERIVATIVE HAX1, OPRK1, OPRD1 ADRB2 21/4885ADRB1 19/4885DRD2 259/4885
US-10040765-B2 Methods for the preparation of indacaterol and pharmaceutically acceptable salts thereof SQLE, HSD11B1, CYP51A1 ADRB2 130/4885ADRB1 94/4885DRD2 3254/4885
US-20120220775-A1 ENANTIOSELECTIVE PREPARATION OF QUINOLINE DERIVATIVES OPRM1, OPRD1, HAX1 ADRB2 23/4885ADRB1 31/4885DRD2 288/4885

“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.