SCHEMBL2829651

SCHEMBL2829651

CC1(C)OCc2cc(C(O)CNCCCCCCOCCCCc3ccccc3)ccc2O1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 19/20 0.57
ADRB1 P08588 18/20 0.57
ADRB3 P13945 17/20 0.57
CYP3A4 P08684 3/20 0.57
KDM4E B2RXH2 2/20 0.57
MEN1 O00255 2/20 0.57
TP53 P04637 2/20 0.57
MAPK1 P28482 2/20 0.57
KMT2A Q03164 2/20 0.57
HTR1A P08908 2/20 0.57
HTR1B P28222 2/20 0.57
CYP2D6 P10635 2/20 0.57
CHRM5 P08912 1/20 0.57
DRD2 P14416 1/20 0.57
ADRA2B P18089 1/20 0.57
DRD4 P21917 1/20 0.57
SLC6A2 P23975 1/20 0.57
FPR3 P25089 1/20 0.57
ADRA1D P25100 1/20 0.57
HTR1D P28221 1/20 0.57

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
SCHEMBL14357338 1.00 ADRB2 (0.57) ADRB2ADRB1ADRB3CYP3A4KDM4E
SCHEMBL14357339 1.00 ADRB2 (0.57) ADRB2ADRB1ADRB3CYP3A4KDM4E
SCHEMBL5440516 0.91 ADRB2 (0.55) ADRB2ADRB1ADRB3CYP3A4KDM4E
SCHEMBL5440507 0.91 ADRB2 (0.55) ADRB2ADRB1ADRB3CYP3A4KDM4E
SCHEMBL2008580 0.90 ADRB2 (0.47) ADRB2ADRB1ADRB3CYP3A4KDM4E
SCHEMBL2008579 0.90 ADRB2 (0.47) ADRB2ADRB1ADRB3CYP3A4KDM4E
SCHEMBL2008582 0.90 ADRB2 (0.47) ADRB2ADRB1ADRB3CYP3A4KDM4E
SCHEMBL5450624 0.90 ADRB2 (0.61) ADRB2ADRB1ADRB3CYP3A4KDM4E
SCHEMBL5450633 0.90 ADRB2 (0.61) ADRB2ADRB1ADRB3CYP3A4KDM4E
SCHEMBL5433683 0.90 ADRB2 (0.45) ADRB2ADRB1ADRB3CYP3A4KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100009950-A1 SUBSTITUTED ETHANOLAMINES AUSPEX PHARMACEUTICALS, INC. (US) 2010-01-14 US disclosed
US-20100009950-A1 SUBSTITUTED ETHANOLAMINES AUSPEX PHARMACEUTICALS, INC. (US) 2010-01-14 US disclosed
US-20100009950-A1 SUBSTITUTED ETHANOLAMINES AUSPEX PHARMACEUTICALS, INC. (US) 2010-01-14 US disclosed
US-7294725-B1 Process for preparing salmeterol SMITHKLINE BEECHAM CORPORATION (US) 2007-11-13 US disclosed
US-7294725-B1 Process for preparing salmeterol SMITHKLINE BEECHAM CORPORATION (US) 2007-11-13 US disclosed
CN-1189446-C 6- (4-phenylbutoxy) hexylamine derivative and method for obtaining salmeterol VITA INVEST SA (ES) 2005-02-16 CN disclosed
EP-1132373-B1 NEW DERIVATIVES OF 6-(4-PHENYLBUTOXY)HEXYLAMINE AND PROCESS FOR PRODUCING SALMETEROL VITA LAB (ES) 2003-11-19 EP disclosed
US-6388134-B1 CHEMICAL INTERMEDIATES INKE, S.A. (ES) 2002-05-14 US disclosed
CN-1320114-A Novel 6- (4-phenylbutoxy) hexylamine derivative and method for obtaining salmeterol VITA INVEST SA (ES) 2001-10-31 CN disclosed
EP-1132373-A2 NEW DERIVATIVES OF 6-(4-PHENYLBUTOXY)HEXYLAMINE AND PROCESS FOR PRODUCING SALMETEROL VITA-INVEST, S.A. (ES) 2001-09-12 EP disclosed
US-5243076-A Adrenergic stimulant intermediates GLAXO GROUP LTD. 1993-09-07 US disclosed
US-5225445-A Respiratory system disorders GLAXO GROUP LTD. 1993-07-06 US disclosed
US-5126375-A Asthma, chronic bronchitis GLAXO GROUP LTD. (GB) 1992-06-30 US disclosed
US-5091422-A Treating inflammatory or allergic skin disease, lowering gastric acidity GLAXO GROUP LIMITED (GB) 1992-02-25 US disclosed
US-4992474-A Adrenergic stimulants GLAXO GROUP LTD. (GB) 1991-02-12 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-20100009950-A1 SUBSTITUTED ETHANOLAMINES ADRA2C, ADRB2, ADRB3 ADRB2 2/4885ADRB1 5/4885ADRB3 3/4885

“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.