SCHEMBL16990769

SCHEMBL16990769

CCCCOC(C)C[C]=O

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.33
DNM1 Q05193 1/20 0.32
ALDH1A1 P00352 1/20 0.32
ADRB2 P07550 1/20 0.32
ADRB1 P08588 1/20 0.32
ADRB3 P13945 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
TRPM8 Q7Z2W7 5/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
TSHR P16473 1/20 0.30
ATM Q13315 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
SCHEMBL4967269 0.77
SCHEMBL7250055 0.75 TDP1 (0.33) CYP3A4DNM1ALDH1A1ADRB2ADRB1
SCHEMBL18959857 0.75 CYP3A4 (0.37) CYP3A4DNM1ALDH1A1ADRB2ADRB1
SCHEMBL709724 0.75
SCHEMBL25970008 0.74
SCHEMBL20995918 0.74 ADRB2 (0.39) CYP3A4DNM1ALDH1A1ADRB2ADRB1
SCHEMBL2759867 0.74
SCHEMBL16079426 0.74
SCHEMBL9509304 0.74 CYP3A4 (0.30) CYP3A4
SCHEMBL7247759 0.74 EPHX2 (0.32) CYP3A4

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 8 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
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-3138837-A1 INDACATEROL FREE BASE IN SOLID FORM Crystal Pharma, S.A.U. (ES) 2017-03-08 EP disclosed
US-20170015628-A1 METHODS FOR THE PREPARATION OF INDACATEROL AND PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF CRYSTAL PHARMA S.A.U. (ES) 2017-01-19 US 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 (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-10040765-B2 Methods for the preparation of indacaterol and pharmaceutically acceptable salts thereof SQLE, HSD11B1, CYP51A1 CYP3A4 16/4885DNM1 4534/4885ALDH1A1 205/4885
US-20150225346-A1 METHODS FOR THE PREPARATION OF INDACATEROL AND PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF SQLE, HSD11B1, CYP51A1 CYP3A4 16/4885DNM1 4534/4885ALDH1A1 205/4885
US-20170015628-A1 METHODS FOR THE PREPARATION OF INDACATEROL AND PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF SQLE, HSD11B1, CYP51A1 CYP3A4 16/4885DNM1 4534/4885ALDH1A1 205/4885

“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.