SCHEMBL17002154

SCHEMBL17002154

CCCCOc1ccc([C@H](CNC2Cc3cc(CC)c(CC)cc3C2)OC(C)OCCCC)c2ccc(=O)[nH]c12

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 19/20 0.51
ADRB1 P08588 8/20 0.51
DRD3 P35462 3/20 0.51
SLC6A2 P23975 1/20 0.51
ADRA1D P25100 1/20 0.51
HTR2A P28223 1/20 0.51
HTR2C P28335 1/20 0.51
SLC6A4 P31645 1/20 0.51
ADRA1A P35348 1/20 0.51
ADRA1B P35368 1/20 0.51
SLC6A3 Q01959 1/20 0.51
SRSF6 Q13247 1/20 0.51
CYP1B1 Q16678 1/20 0.51
TMEM97 Q5BJF2 1/20 0.51
DRD2 P14416 2/20 0.32
DRD1 P21728 2/20 0.32
DRD4 P21917 2/20 0.32
CNR2 P34972 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
SCHEMBL18601912 1.00 ADRB2 (0.51) ADRB2ADRB1DRD3SLC6A2ADRA1D
SCHEMBL15630131 1.00 ADRB2 (0.51) ADRB2ADRB1DRD3SLC6A2ADRA1D
SCHEMBL16066898 0.85 ADRB2 (0.72) ADRB2ADRB1DRD3SLC6A2ADRA1D
SCHEMBL13868998 0.85 ADRB2 (0.72) ADRB2ADRB1DRD3SLC6A2ADRA1D
SCHEMBL16999078 0.80 ADRB2 (0.51) ADRB2ADRB1DRD3SLC6A2ADRA1D
SCHEMBL15630094 0.80 ADRB2 (0.36) ADRB2ADRB1DRD3DRD2DRD1
SCHEMBL19674488 0.80 ADRB2 (0.36) ADRB2ADRB1DRD3DRD2DRD1
SCHEMBL18601882 0.80 ADRB2 (0.36) ADRB2ADRB1DRD3DRD2DRD1
SCHEMBL13869000 0.78 ADRB2 (0.71) ADRB2ADRB1DRD3SLC6A2ADRA1D
SCHEMBL28899452 0.75 ADRB2 (0.53) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2897937-B1 PROCESS FOR THE PREPARATION OF INDACATEROL AND INTERMEDIATES THEREOF CRYSTAL PHARMA SAU (ES) 2017-12-06 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20150225346-A1 METHODS FOR THE PREPARATION OF INDACATEROL AND PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF SQLE, HSD11B1, CYP51A1 ADRB2 130/4885ADRB1 94/4885DRD3 1957/4885

“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.