SCHEMBL2749196

SCHEMBL2749196

C[C@H](Cc1ccc(OCCC23CC4CC(CC(C4)C2)C3)cc1)NC[C@H](O[Si](C)(C)C(C)(C)C)c1ccc(OCc2ccccc2)c2[nH]c(=O)ccc12

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 11/20 0.38
EPHX2 P34913 7/20 0.35
ADRB1 P08588 4/20 0.33
CHRM3 P20309 4/20 0.33
SIGMAR1 Q99720 1/20 0.32
DRD2 P14416 2/20 0.32
DRD1 P21728 2/20 0.32
DRD4 P21917 2/20 0.32
DRD3 P35462 2/20 0.32
ADRB3 P13945 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
SCHEMBL2749198 1.00 ADRB2 (0.38) ADRB2EPHX2ADRB1CHRM3SIGMAR1
SCHEMBL2747828 0.94 ADRB2 (0.34) ADRB2ADRB1CHRM3DRD2DRD1
SCHEMBL2748567 0.90 EPHX2 (0.42) ADRB2EPHX2ADRB1CHRM3DRD2
SCHEMBL2748812 0.87 ADRB2 (0.51) ADRB2EPHX2ADRB1CHRM3DRD2
SCHEMBL2748814 0.87 ADRB2 (0.51) ADRB2EPHX2ADRB1CHRM3DRD2
SCHEMBL2747685 0.86 ADRB2 (0.41) ADRB2EPHX2ADRB1CHRM3DRD2
SCHEMBL2748953 0.85 ADRB2 (0.40) ADRB2EPHX2ADRB1CHRM3DRD2
SCHEMBL2747843 0.84 ADRB2 (0.36) ADRB2EPHX2ADRB1CHRM3DRD2
SCHEMBL2749223 0.83 ADRB2 (0.40) ADRB2EPHX2ADRB1CHRM3DRD2
SCHEMBL2795758 0.83 ADRB2 (0.40) ADRB2ADRB1CHRM3SIGMAR1DRD2

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 1/4885EPHX2 598/4885ADRB1 2/4885

“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.