SCHEMBL2795758

SCHEMBL2795758

C[C@@H](Cc1ccc(OCC(F)(F)Cc2ccccc2)cc1)NC[C@H](O[Si](C)(C)C(C)(C)C)c1ccc(OCc2ccccc2)c2[nH]c(=O)ccc12

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 17/20 0.40
SIGMAR1 Q99720 2/20 0.35
ADRB1 P08588 11/20 0.33
ADRB3 P13945 2/20 0.33
CHRM2 P08172 1/20 0.33
CHRM3 P20309 1/20 0.32
DRD2 P14416 2/20 0.31
DRD1 P21728 2/20 0.31
DRD4 P21917 2/20 0.31
DRD3 P35462 2/20 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
SCHEMBL2795756 1.00 ADRB2 (0.40) ADRB2SIGMAR1ADRB1ADRB3CHRM2
SCHEMBL2793374 0.90 ADRB2 (0.39) ADRB2SIGMAR1ADRB1ADRB3CHRM2
SCHEMBL2793371 0.90 ADRB2 (0.39) ADRB2SIGMAR1ADRB1ADRB3CHRM2
SCHEMBL6254124 0.86 ADRB2 (0.41) ADRB2ADRB1ADRB3DRD2DRD1
SCHEMBL6254119 0.86 ADRB2 (0.41) ADRB2ADRB1ADRB3DRD2DRD1
SCHEMBL2793875 0.85 ADRB2 (0.36) ADRB2ADRB1ADRB3CHRM3DRD3
SCHEMBL2749198 0.83 ADRB2 (0.38) ADRB2SIGMAR1ADRB1ADRB3CHRM3
SCHEMBL2749196 0.83 ADRB2 (0.38) ADRB2SIGMAR1ADRB1ADRB3CHRM3
SCHEMBL2142813 0.83 ADRB3 (0.39) ADRB2ADRB1ADRB3DRD2DRD1
SCHEMBL2142809 0.83 ADRB3 (0.39) ADRB2ADRB1ADRB3DRD2DRD1

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 1/4885SIGMAR1 50/4885ADRB1 2/4885
US-20150210643-A1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXYETHYL)PHENOL AS AGONISTS OF THE BETA2 ADRENERGIC RECEPTOR ADRB2, ADRB1, ADRA2C ADRB2 1/4885SIGMAR1 50/4885ADRB1 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.