SCHEMBL2797776

SCHEMBL2797776

O=c1ccc2c([C@@H](O)CNCCc3cccc(OCC(F)(F)c4ccccc4)c3)ccc(OCc3ccccc3)c2[nH]1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 14/20 0.53
ADRB1 P08588 12/20 0.53
DRD2 P14416 2/20 0.52
DRD1 P21728 2/20 0.52
DRD4 P21917 2/20 0.52
DRD3 P35462 2/20 0.52
ADRA1D P25100 1/20 0.48
ADRB3 P13945 2/20 0.47
CHRM2 P08172 1/20 0.46

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
SCHEMBL2792399 0.95 ADRB2 (0.55) ADRB2ADRB1DRD2DRD1DRD4
SCHEMBL2792396 0.95 ADRB2 (0.55) ADRB2ADRB1DRD2DRD1DRD4
SCHEMBL2793057 0.92 ADRB2 (0.54) ADRB2ADRB1DRD2DRD1DRD4
SCHEMBL2795636 0.92 ADRB2 (0.54) ADRB2ADRB1DRD2DRD1DRD4
SCHEMBL2795718 0.90 ADRB2 (0.53) ADRB2ADRB1DRD2DRD1DRD4
SCHEMBL2793005 0.90 ADRB2 (0.66) ADRB2ADRB1DRD2DRD1DRD4
SCHEMBL13170745 0.90 ADRB2 (0.66) ADRB2ADRB1DRD2DRD1DRD4
SCHEMBL2793001 0.90 ADRB2 (0.66) ADRB2ADRB1DRD2DRD1DRD4
SCHEMBL2796241 0.90 ADRB2 (0.54) ADRB2ADRB1DRD2DRD1DRD4
SCHEMBL2796246 0.90 ADRB2 (0.54) ADRB2ADRB1DRD2DRD1DRD4

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 2/4885DRD2 246/4885
US-20150210643-A1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXYETHYL)PHENOL AS AGONISTS OF THE BETA2 ADRENERGIC RECEPTOR ADRB2, ADRB1, ADRA2C ADRB2 1/4885ADRB1 2/4885DRD2 246/4885

“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.