SCHEMBL5212239

SCHEMBL5212239

CC1(C)OCc2cc([C@H](O)CNCCc3ccc4c(c3)O[C@H](COCc3cccc(C#N)c3)CO4)ccc2O1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 9/20 0.35
ADRB1 P08588 6/20 0.35
ADRB3 P13945 4/20 0.35
ADRA1D P25100 2/20 0.35
ADRA1A P35348 2/20 0.35
ADRA1B P35368 2/20 0.35
FFAR1 O14842 4/20 0.34
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
SLC22A1 O15245 1/20 0.33
CHRM2 P08172 1/20 0.33
CYP3A4 P08684 1/20 0.33
CHRM1 P11229 1/20 0.33
TSHR P16473 1/20 0.33
NFKB1 P19838 1/20 0.33
SLC6A4 P31645 1/20 0.33
OPRM1 P35372 1/20 0.33
SLC6A3 Q01959 1/20 0.33
HIF1A Q16665 1/20 0.33

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
SCHEMBL5212232 1.00 ADRB2 (0.35) ADRB2ADRB1ADRB3ADRA1DADRA1A
SCHEMBL5209792 0.91 ADRB2 (0.39) ADRB2ADRB1ADRB3ADRA1DADRA1A
SCHEMBL5212693 0.91 ADRB2 (0.39) ADRB2ADRB1ADRB3ADRA1DADRA1A
SCHEMBL5943664 0.88 ADRB2 (0.39) ADRB2ADRB1ADRB3ADRA1DADRA1A
SCHEMBL5209433 0.88 ADRB3 (0.38) ADRB2ADRB1ADRB3ADRA1DADRA1A
SCHEMBL5209443 0.88 ADRB3 (0.38) ADRB2ADRB1ADRB3ADRA1DADRA1A
SCHEMBL5212863 0.88 ADRB3 (0.35) ADRB2ADRB1ADRB3ADRA1DADRA1A
SCHEMBL5215049 0.88 ADRB2 (0.36) ADRB2ADRB1ADRB3ADRA1DADRA1A
SCHEMBL5943639 0.88 ADRB2 (0.36) ADRB2ADRB1ADRB3ADRA1DADRA1A
SCHEMBL5943666 0.88 ADRB2 (0.36) ADRB2ADRB1ADRB3ADRA1DADRA1A

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
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

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 ADRB2 117/4885ADRB1 120/4885ADRB3 70/4885

“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.