SCHEMBL22864064

SCHEMBL22864064

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

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 5/20 0.60
DNM1 Q05193 1/20 0.60
BCHE P06276 1/20 0.58
ACHE P22303 1/20 0.58
ADRB1 P08588 2/20 0.52
IMPDH2 P12268 1/20 0.44
IMPDH1 P20839 1/20 0.44
HIF1A Q16665 2/20 0.43
CYP2C19 P33261 1/20 0.43
ABCB11 O95342 1/20 0.43
HTR1A P08908 1/20 0.43
ADRA2A P08913 1/20 0.43
PTGS1 P23219 1/20 0.43
SLC6A2 P23975 1/20 0.43
OPRM1 P35372 1/20 0.43
DRD3 P35462 1/20 0.43
UTS2R Q9UKP6 1/20 0.41
ADRB3 P13945 1/20 0.41
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40

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
SCHEMBL22864072 0.82 ADRB2 (0.56) ADRB2DNM1BCHEACHEADRB1
SCHEMBL22864046 0.79 ADRB2 (0.53) ADRB2DNM1ADRB1CYP2C19DRD3
SCHEMBL22864090 0.77 ADRB2 (0.48) ADRB2DNM1ADRB1HIF1ACYP2C19
SCHEMBL11088171 0.76 ADRB2 (0.61) ADRB2ADRB1HIF1ACYP2C19HTR1A
Carazolol SCHEMBL29354289 0.76 ADRB2 (1.00) ADRB2DNM1ADRB1ABCB11HTR1A
Carazolol SCHEMBL6511163 0.76 ADRB2 (1.00) ADRB2DNM1ADRB1ABCB11HTR1A
Carazolol SCHEMBL77903 0.76 ADRB2 (1.00) ADRB2DNM1ADRB1ABCB11HTR1A
Carazolol SCHEMBL77901 0.76 ADRB2 (1.00) ADRB2DNM1ADRB1ABCB11HTR1A
SCHEMBL20800181 0.75 IMPDH2 (0.53) ADRB2DNM1BCHEACHEIMPDH2
Carazolol SCHEMBL10568418 0.75 ADRB2 (0.98) ADRB2DNM1ADRB1ABCB11HTR1A

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 1/4885DNM1 2176/4885BCHE 752/4885

“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.