SCHEMBL1206217

SCHEMBL1206217

CC(Cc1cccc(NC(=O)NC23CC4CC(CC(C4)C2)C3)c1)NC[C@@H](O)c1ccc2c(c1)COC(C)(C)O2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 4/20 0.52
EPHX2 P34913 14/20 0.45
MAPT P10636 2/20 0.45
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
ADRB3 P13945 3/20 0.43
ADRB1 P08588 1/20 0.43
ADRA2A P08913 1/20 0.43
ADRA2B P18089 1/20 0.43
ADRA2C P18825 1/20 0.43
ADRA1D P25100 1/20 0.43
ADRA1A P35348 1/20 0.43
ADRA1B P35368 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.41
ALOX15 P16050 2/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41

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
SCHEMBL1206214 1.00 ADRB2 (0.52) ADRB2EPHX2MAPTALDH1A1HPGD
SCHEMBL2824703 0.86 ADRB2 (0.47) ADRB2ADRB3ADRB1ADRA2AADRA2B
SCHEMBL2824699 0.86 ADRB2 (0.47) ADRB2ADRB3ADRB1ADRA2AADRA2B
SCHEMBL1206030 0.86 ADRB2 (0.47) ADRB2ADRB3ADRB1ADRA2AADRA2B
SCHEMBL1206028 0.86 ADRB2 (0.47) ADRB2ADRB3ADRB1ADRA2AADRA2B
SCHEMBL2746443 0.82 ADRB2 (0.44) ADRB2ALDH1A1NPSR1ADRB3ADRB1
SCHEMBL1205434 0.82 ADRB2 (0.46) ADRB2ADRB3ADRB1ADRA2AADRA2B
SCHEMBL1205430 0.82 ADRB2 (0.46) ADRB2ADRB3ADRB1ADRA2AADRA2B
SCHEMBL1204324 0.81 ADRB2 (0.52) ADRB2MAPTADRB3ADRB1ADRA2A
SCHEMBL1204325 0.81 ADRB2 (0.52) ADRB2MAPTADRB3ADRB1ADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110028442-A1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXYETHYL) PHENOL AS AGONISTS OF THE BETA2 ADRENERGIC RECEPTOR ALMIRALL, S.A. (ES) 2011-02-03 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-20110028442-A1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXYETHYL) PHENOL AS AGONISTS OF THE BETA2 ADRENERGIC RECEPTOR ADRB2, ADRB1, ADRA2C ADRB2 1/4885EPHX2 576/4885MAPT 2590/4885

“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.