SCHEMBL2797227

SCHEMBL2797227

C[C@@H](Cc1ccc(OCC(F)(F)c2ccccc2)cc1)NC[C@@H](O[Si](C)(C)C(C)(C)C)c1ccc(OCc2ccccc2)c(NC=O)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 8/20 0.38
ADRB1 P08588 7/20 0.38
ADRB3 P13945 5/20 0.38
ADRA1A P35348 3/20 0.38
DRD2 P14416 2/20 0.38
SLC6A4 P31645 2/20 0.38
SLC6A3 Q01959 2/20 0.38
DRD3 P35462 2/20 0.38
PGR P06401 1/20 0.38
PTGS2 P35354 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
CYP2C19 P33261 1/20 0.38
SIGMAR1 Q99720 1/20 0.35
PDE4B Q07343 4/20 0.34
GPR34 Q9UPC5 1/20 0.34
KIFC1 Q9BW19 1/20 0.33

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
SCHEMBL2797225 1.00 ADRB2 (0.38) ADRB2ADRB1ADRB3ADRA1ADRD2
SCHEMBL2795662 0.89 ADRB2 (0.45) ADRB2ADRB1ADRB3MAPK1
SCHEMBL2795663 0.89 ADRB2 (0.45) ADRB2ADRB1ADRB3MAPK1
SCHEMBL2797228 0.87 KIFC1 (0.38) ADRB2ADRB1ADRB3ADRA1ASLC6A4
SCHEMBL2793400 0.86 ADRB2 (0.53) ADRB2ADRB1ADRB3ADRA1ADRD2
SCHEMBL2793403 0.86 ADRB2 (0.53) ADRB2ADRB1ADRB3ADRA1ADRD2
SCHEMBL2791896 0.84 ADRB2 (0.43) ADRB2ADRB1ADRB3CYP2D6
SCHEMBL2791899 0.84 ADRB2 (0.43) ADRB2ADRB1ADRB3CYP2D6
SCHEMBL3714996 0.82 ADRB2 (0.36) ADRB2ADRB1ADRB3ADRA1ADRD2
SCHEMBL3714998 0.82 ADRB2 (0.36) ADRB2ADRB1ADRB3ADRA1ADRD2

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-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
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 2/4885ADRB3 4/4885
US-20150210643-A1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXYETHYL)PHENOL AS AGONISTS OF THE BETA2 ADRENERGIC RECEPTOR ADRB2, ADRB1, ADRA2C ADRB2 1/4885ADRB1 2/4885ADRB3 4/4885

“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.