SCHEMBL2748974

SCHEMBL2748974

C[C@H](Cc1cccc(OCCC23CC4CC(CC(C4)C2)C3)c1)NC[C@H](O[Si](C)(C)C(C)(C)C)c1ccc(OCc2ccccc2)c(NC=O)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 8/20 0.35
FAAH O00519 1/20 0.33
CNR2 P34972 1/20 0.33
PDE4B Q07343 4/20 0.32
ADRA1A P35348 2/20 0.32
ADRA1D P25100 1/20 0.32
ADRA1B P35368 1/20 0.32
ADRB1 P08588 5/20 0.31
ADRB3 P13945 3/20 0.31
DRD2 P14416 2/20 0.31
MAPK1 P28482 2/20 0.31
PGR P06401 1/20 0.31
SLC6A4 P31645 1/20 0.31
PTGS2 P35354 1/20 0.31
SLC6A3 Q01959 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
TSHR P16473 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL2748440 0.90 ADRB2 (0.44) ADRB2FAAHCNR2ADRB1ADRB3
SCHEMBL2748977 0.89 ADRA1A (0.35) ADRB2FAAHCNR2ADRA1AADRA1D
SCHEMBL2747837 0.87 ADRB2 (0.46) ADRB2PDE4BADRA1AADRB1ADRB3
SCHEMBL2748417 0.86 ADRB2 (0.45) ADRB2ADRB1ADRB3MEN1KMT2A
SCHEMBL13807480 0.84 ADRB2 (0.48) ADRB2FAAHCNR2MEN1LMNA
SCHEMBL2747828 0.81 ADRB2 (0.34) ADRB2FAAHCNR2ADRA1AADRA1D
SCHEMBL3714996 0.81 ADRB2 (0.36) ADRB2ADRA1AADRA1DADRA1BADRB1
SCHEMBL3714998 0.81 ADRB2 (0.36) ADRB2ADRA1AADRA1DADRA1BADRB1
SCHEMBL2748442 0.79 EPHX2 (0.39) ADRB2FAAHCNR2ADRB1ADRB3
SCHEMBL3620901 0.79 ADRB1 (0.41) ADRB2ADRA1AADRB1ADRB3DRD2

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-8178679-B2 Derivatives of 4-(2-amino-1-hydroxyethyl)phenol as agonists of the β2 adrenergic receptors ALMIRALL, S.A. (ES) 2012-05-15 US disclosed
US-20100324000-A1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXYETHYL)PHENOL AS AGONISTS OF THE BETA2 ADRENERGIC RECEPTORS ALMIRALL, S.A. (ES) 2010-12-23 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-20100324000-A1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXYETHYL)PHENOL AS AGONISTS OF THE BETA2 ADRENERGIC RECEPTORS ADRB2, ADRB1, ADRA2C ADRB2 1/4885FAAH 1060/4885CNR2 51/4885

“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.