SCHEMBL2797658

SCHEMBL2797658

C[C@@H](Cc1ccc(OCC(F)(F)c2ccccc2)cc1)NC[C@@H](O)c1ccc(OCc2ccccc2)c2[nH]c(=O)ccc12

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 19/20 0.55
ADRB1 P08588 17/20 0.46
CHRM3 P20309 1/20 0.41
CHRM2 P08172 1/20 0.41
ADRB3 P13945 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
SCHEMBL2797654 1.00 ADRB2 (0.55) ADRB2ADRB1CHRM3CHRM2ADRB3
SCHEMBL2794965 0.97 ADRB2 (0.53) ADRB2ADRB1
SCHEMBL2794968 0.97 ADRB2 (0.53) ADRB2ADRB1
SCHEMBL2796175 0.93 ADRB2 (0.49) ADRB2ADRB1ADRB3
SCHEMBL2795710 0.90 ADRB2 (0.53) ADRB2ADRB1CHRM2ADRB3
SCHEMBL2795715 0.90 ADRB2 (0.53) ADRB2ADRB1CHRM2ADRB3
SCHEMBL13170235 0.89 ADRB2 (0.70) ADRB2ADRB1CHRM2ADRB3
SCHEMBL2791180 0.89 ADRB2 (0.70) ADRB2ADRB1CHRM2ADRB3
SCHEMBL10494435 0.87 ADRB2 (0.71) ADRB2ADRB1
SCHEMBL10494457 0.87 ADRB2 (0.71) ADRB2ADRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150210643-A1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXYETHYL)PHENOL AS AGONISTS OF THE BETA2 ADRENERGIC RECEPTOR LABORATORIOS ALMIRALL, S.A. 2015-07-30 US disclosed
EP-2057122-B1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXYETHYL)PHENOL AS AGONISTS OF THE 2 ADRENERGIC RECEPTOR ALMIRALL SA (ES) 2010-09-01 EP disclosed
US-20100168161-A1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXYETHYL)PHENOL AS AGONISTS OF THE BETA2 ADRENERGIC RECEPTOR LABORATORIOS ALMIRALL, S.A. (ES) 2010-07-01 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 (2 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-20100168161-A1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXYETHYL)PHENOL AS AGONISTS OF THE BETA2 ADRENERGIC RECEPTOR ADRB2, ADRB1, ADRA2C ADRB2 1/4885ADRB1 2/4885CHRM3 33/4885
US-20150210643-A1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXYETHYL)PHENOL AS AGONISTS OF THE BETA2 ADRENERGIC RECEPTOR ADRB2, ADRB1, ADRA2C ADRB2 1/4885ADRB1 2/4885CHRM3 33/4885

“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.