SCHEMBL2746449

SCHEMBL2746449

CCOc1c(CC(C)NCC(O)c2ccc3c(c2)COC(C)(C)O3)cccc1C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 14/20 0.37
ADRB3 P13945 12/20 0.35
ADRB1 P08588 6/20 0.33
ADRA1D P25100 3/20 0.33
ADRA1A P35348 3/20 0.33
ADRA1B P35368 3/20 0.33
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
ALOX15 P16050 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
TSHR P16473 1/20 0.32
NFKB1 P19838 1/20 0.32
ALDH1A1 P00352 1/20 0.31
NPSR1 Q6W5P4 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
SCHEMBL2748430 0.87
SCHEMBL2748433 0.87
SCHEMBL2746447 0.76 ADRB2 (0.42) ADRB2ADRB3ADRB1ADRA1DADRA1A
SCHEMBL2746443 0.76 ADRB2 (0.44) ADRB2ADRB3ADRB1ADRA1DADRA1A
SCHEMBL1206217 0.74 ADRB2 (0.52) ADRB2ADRB3ADRB1ADRA1DADRA1A
SCHEMBL1206214 0.74 ADRB2 (0.52) ADRB2ADRB3ADRB1ADRA1DADRA1A
SCHEMBL17660490 0.69 KMT2A (0.39) ADRB2ADRB3ADRB1ADRA1DADRA1A
SCHEMBL2824699 0.68 ADRB2 (0.47) ADRB2ADRB3ADRB1ADRA1DADRA1A
SCHEMBL2824703 0.68 ADRB2 (0.47) ADRB2ADRB3ADRB1ADRA1DADRA1A
SCHEMBL5290635 0.68 ADRB2 (0.47) ADRB2ADRB3ADRB1ADRA1DADRA1A

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 4 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
EP-2212276-A1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXYETHYL)PHENOL AS AGONISTS OF THE BETA2 ADRENERGIC RECEPTOR Almirall, S.A. (ES) 2010-08-04 EP disclosed
WO-2009068177-A1 DERIVATIVES OF 4-(2-AMINO-1 -HYDROXYETHYL)PHENOL AS AGONISTS OF THE β2 ADRENERGIC RECEPTOR ALMIRALL, S.A. (ES) 2009-06-04 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-20100324000-A1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXYETHYL)PHENOL AS AGONISTS OF THE BETA2 ADRENERGIC RECEPTORS ADRB2, ADRB1, ADRA2C ADRB2 1/4885ADRB3 4/4885ADRB1 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.