SCHEMBL22864072

SCHEMBL22864072

CC(C)(C)NC[C@H](O)c1cccc2[nH]c3ccccc3c12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 8/20 0.56
CYP2D6 P10635 2/20 0.54
ADRB1 P08588 2/20 0.54
NFKB1 P19838 1/20 0.54
HIF1A Q16665 1/20 0.54
BLM P54132 1/20 0.52
DNM1 Q05193 2/20 0.44
BCHE P06276 1/20 0.44
ACHE P22303 1/20 0.44
IMPDH2 P12268 1/20 0.43
IMPDH1 P20839 1/20 0.43
TLR4 O00206 4/20 0.41
TDP1 Q9NUW8 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
DRD2 P14416 3/20 0.39
KDM4E B2RXH2 1/20 0.39
SLC22A2 O15244 1/20 0.39
SLC22A1 O15245 1/20 0.39

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
SCHEMBL22864178 0.84 ADRB2 (0.45) ADRB2CYP2D6ADRB1NFKB1HIF1A
SCHEMBL24631008 0.84 ADRB2 (0.45) ADRB2CYP2D6ADRB1NFKB1HIF1A
SCHEMBL22864047 0.83 ADRB2 (0.47) ADRB2CYP2D6ADRB1NFKB1HIF1A
SCHEMBL22864064 0.82 ADRB2 (0.60) ADRB2CYP2D6ADRB1HIF1ADNM1
SCHEMBL22864065 0.82 MEN1 (0.51) ADRB2CYP2D6ADRB1NFKB1HIF1A
SCHEMBL22864066 0.81 ADRB2 (0.45) ADRB2CYP2D6ADRB1NFKB1HIF1A
SCHEMBL22864063 0.80 ADRB2 (0.55) ADRB2CYP2D6ADRB1HTR1AADRA2A
SCHEMBL22864048 0.80 ADRB2 (0.46) ADRB2CYP2D6ADRB1NFKB1HIF1A
SCHEMBL24631022 0.79 ADRB2 (0.55) ADRB2CYP2D6ADRB1NFKB1HIF1A
SCHEMBL22864045 0.78 DYRK1A (0.43) ADRB2CYP2D6ADRB1NFKB1HIF1A

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-20220315534-A1 BETA ADRENERGIC AGONIST AND METHODS OF USING THE SAME CURASEN THERAPEUTICS, INC. 2022-10-06 US disclosed
WO-2021003161-A1 BETA ADRENERGIC AGONIST AND METHODS OF USING THE SAME CURASEN THERAPEUTICS, INC. (US) 2021-01-07 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-20220315534-A1 BETA ADRENERGIC AGONIST AND METHODS OF USING THE SAME ADRB2, ADRB1, ADRA2C ADRB2 1/4885CYP2D6 946/4885ADRB1 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.