SCHEMBL5212216

SCHEMBL5212216

CC1(C)OCc2cc([C@@H](O)CNCCc3ccc4c(c3)O[C@H](COCc3c(Cl)cccc3Cl)CO4)ccc2O1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 11/20 0.36
ADRB1 P08588 10/20 0.36
ADRB2 P07550 8/20 0.36
ADRA1A P35348 3/20 0.36
ADRA1D P25100 2/20 0.36
ADRA1B P35368 2/20 0.36
SLC6A4 P31645 2/20 0.35
SLC6A3 Q01959 2/20 0.35
MLNR O43193 1/20 0.35
NR1I2 O75469 1/20 0.35
ABCB11 O95342 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
DRD1 P21728 1/20 0.35
SLC6A2 P23975 1/20 0.35
HTR2A P28223 1/20 0.35
PTGS2 P35354 1/20 0.35
MC3R P41968 1/20 0.35
PDE4D Q08499 1/20 0.35
SCN5A Q14524 1/20 0.35
GHSR Q92847 1/20 0.35

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
SCHEMBL5943632 0.93 ADRB1 (0.35) ADRB3ADRB1ADRB2ADRA1AADRA1D
SCHEMBL5215049 0.91 ADRB2 (0.36) ADRB3ADRB1ADRB2ADRA1AADRA1D
SCHEMBL5212693 0.90 ADRB2 (0.39) ADRB3ADRB1ADRB2ADRA1AADRA1D
SCHEMBL5209792 0.90 ADRB2 (0.39) ADRB3ADRB1ADRB2ADRA1AADRA1D
SCHEMBL5943666 0.88 ADRB2 (0.36) ADRB3ADRB1ADRB2ADRA1AADRA1D
SCHEMBL5943639 0.88 ADRB2 (0.36) ADRB3ADRB1ADRB2ADRA1AADRA1D
SCHEMBL5943651 0.88 ADRB2 (0.34) ADRB3ADRB1ADRB2ADRA1AADRA1D
SCHEMBL5943664 0.87 ADRB2 (0.39) ADRB3ADRB1ADRB2ADRA1AADRA1D
SCHEMBL5212239 0.87 ADRB2 (0.35) ADRB3ADRB1ADRB2ADRA1AADRA1D
SCHEMBL5212232 0.87 ADRB2 (0.35) ADRB3ADRB1ADRB2ADRA1AADRA1D

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-1554264-B1 MEDICINAL ARYLETHANOLAMINE COMPOUNDS GLAXO GROUP LTD (GB) 2007-08-08 EP disclosed
US-20060205790-A1 Medicinal arylethanolamine compounds GLAXO GROUP LIMITED (GB) 2006-09-14 US disclosed
WO-2004037807-A9 MEDICINAL ARYLETHANOLAMINE COMPOUNDS GLAXO GROUP LTD (GB) 2004-08-19 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 (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-20060205790-A1 Medicinal arylethanolamine compounds NAT1, AADAC, AHR ADRB3 70/4885ADRB1 120/4885ADRB2 117/4885

“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.