SCHEMBL5113089

SCHEMBL5113089

O=c1ccc2c([C@H](CBr)OC3CCCCO3)ccc(OCc3ccccc3)c2[nH]1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 1/20 0.35
MCHR1 Q99705 3/20 0.34
CCR5 P51681 1/20 0.33
ADRB2 P07550 8/20 0.33
ADRB1 P08588 3/20 0.32
ADORA3 P0DMS8 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 1/20 0.31
ATR Q13535 1/20 0.30
DRD2 P14416 1/20 0.30
DRD1 P21728 1/20 0.30
DRD4 P21917 1/20 0.30
DRD3 P35462 1/20 0.30

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
SCHEMBL5121190 0.83 ADRB2 (0.40) PIK3CGCCR5ADRB2ADRB1DRD2
SCHEMBL5119595 0.82 ADRB2 (0.40) ADRB2ADRB1DRD2DRD1DRD4
SCHEMBL776314 0.78 ADRB2 (0.39) PIK3CGADRB2ADRB1ADORA3DRD2
SCHEMBL384325 0.78 ADRB2 (0.39) PIK3CGADRB2ADRB1ADORA3DRD2
SCHEMBL16999077 0.77 ADORA3 (0.38) PIK3CGADRB2ADRB1ADORA3DRD2
SCHEMBL27415356 0.77 ADORA3 (0.37) PIK3CGADRB2ADRB1ADORA3DRD2
SCHEMBL99134 0.75 ADRB2 (0.46) ADRB2ADRB1DRD2DRD1DRD4
SCHEMBL14681026 0.75 ADORA3 (0.40) PIK3CGADRB2ADRB1ADORA3DRD2
SCHEMBL2568651 0.75 ADRB2 (0.46) ADRB2ADRB1DRD2DRD1DRD4
SCHEMBL30490482 0.75 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-2897937-B1 PROCESS FOR THE PREPARATION OF INDACATEROL AND INTERMEDIATES THEREOF CRYSTAL PHARMA SAU (ES) 2017-12-06 EP disclosed
EP-3138837-A1 INDACATEROL FREE BASE IN SOLID FORM Crystal Pharma, S.A.U. (ES) 2017-03-08 EP disclosed
US-9475772-B2 Methods for the preparation of indacaterol and pharmaceutically acceptable salts thereof CRYSTAL PHARMA S.A.U. (ES) 2016-10-25 US disclosed
US-20150225346-A1 METHODS FOR THE PREPARATION OF INDACATEROL AND PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF CRYSTAL PHARMA S.A.U. (ES) 2015-08-13 US disclosed
US-7402598-B2 Arylethanolamine β2-adrenoreceptor agonist compounds GLAXO GROUP LIMITED (GB) 2008-07-22 US disclosed
US-20060111344-A1 Arylethanolamine beta2-adrenoreceptor agonist compounds GLAXO GROUP LIMITED (GB) 2006-05-25 US disclosed
EP-1525180-A2 ARYLETHANOLAMINE BETA2-ADRENORECEPTOR AGONIST COMPOUNDS GLAXO GROUP LIMITED (GB) 2005-04-27 EP disclosed
WO-2004016578-A2 ARYLETHANOLAMINE BETA2-ADRENORECEPTOR AGONIST COMPOUNDS GLAXO GROUP LIMITED (GB) 2004-02-26 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 (2 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-20060111344-A1 Arylethanolamine beta2-adrenoreceptor agonist compounds ADRB2, ADRB1, ADRA2A PIK3CG 2595/4885MCHR1 258/4885CCR5 1604/4885
US-20150225346-A1 METHODS FOR THE PREPARATION OF INDACATEROL AND PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF SQLE, HSD11B1, CYP51A1 PIK3CG 1594/4885MCHR1 2305/4885CCR5 693/4885

“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.