SCHEMBL5447178

SCHEMBL5447178

NC(=O)Nc1cccc(CCCCCOCCCCCCNC[C@@H](O)c2ccc(O)c(CO)c2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 19/20 1.00
ADRB1 P08588 19/20 1.00
ADRB3 P13945 19/20 1.00
KDM4E B2RXH2 1/20 0.73
HTR1A P08908 1/20 0.73
CHRM5 P08912 1/20 0.73
DRD2 P14416 1/20 0.73
ADRA2B P18089 1/20 0.73
DRD4 P21917 1/20 0.73
SLC6A2 P23975 1/20 0.73
FPR3 P25089 1/20 0.73
ADRA1D P25100 1/20 0.73
HTR1D P28221 1/20 0.73
HTR1B P28222 1/20 0.73
HTR2A P28223 1/20 0.73
HTR2C P28335 1/20 0.73
SLC6A4 P31645 1/20 0.73
GPR183 P32249 1/20 0.73
HTR7 P34969 1/20 0.73
ADRA1A P35348 1/20 0.73

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
SCHEMBL5449548 1.00 ADRB2 (1.00) ADRB2ADRB1ADRB3KDM4EHTR1A
SCHEMBL5450243 1.00 ADRB2 (1.00) ADRB2ADRB1ADRB3KDM4EHTR1A
SCHEMBL5447165 1.00 ADRB2 (1.00) ADRB2ADRB1ADRB3KDM4EHTR1A
SCHEMBL5450250 1.00 ADRB2 (1.00) ADRB2ADRB1ADRB3KDM4EHTR1A
SCHEMBL5471417 1.00 ADRB2 (1.00) ADRB2ADRB1ADRB3KDM4EHTR1A
SCHEMBL5471410 1.00 ADRB2 (1.00) ADRB2ADRB1ADRB3KDM4EHTR1A
SCHEMBL5443166 0.98 ADRB2 (0.97) ADRB2ADRB1ADRB3
SCHEMBL5443154 0.98 ADRB2 (0.97) ADRB2ADRB1ADRB3
Acetic Acid SCHEMBL5448138 0.97 ADRB2 (1.00) ADRB2ADRB1ADRB3
Acetic Acid SCHEMBL5452081 0.97 ADRB2 (1.00) ADRB2ADRB1ADRB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070249630-A1 Phenethanolamine derivatives for treatment of respiratory diseases GLAXO GROUP LIMITED (GB) 2007-10-25 US disclosed
US-20050209338-A1 Phenethanolamine derivatives for treatment of respiratory diseases GLAXO GROUP LIMITED (GB) 2005-09-22 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 (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-20050209338-A1 Phenethanolamine derivatives for treatment of respiratory diseases PHOSPHO1, PNMT, PEBP1 ADRB2 89/4885ADRB1 192/4885ADRB3 128/4885
US-20070249630-A1 Phenethanolamine derivatives for treatment of respiratory diseases PHOSPHO1, PNMT, PEBP1 ADRB2 89/4885ADRB1 192/4885ADRB3 128/4885

“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.