SCHEMBL22864178

SCHEMBL22864178

CC(C)(C)NC[C@H](O)c1cccc2[nH]c3ncccc3c12

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 9/20 0.45
ADRB1 P08588 4/20 0.45
CYP2D6 P10635 2/20 0.45
HIF1A Q16665 2/20 0.45
NFKB1 P19838 1/20 0.45
BLM P54132 1/20 0.44
CYP1A2 P05177 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ALOX15 P16050 1/20 0.40
ADRB3 P13945 1/20 0.40
LMNA P02545 1/20 0.39
CYP2C19 P33261 2/20 0.38
CYP3A4 P08684 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL22864048 0.84 ADRB2 (0.46) ADRB2ADRB1CYP2D6HIF1ANFKB1
SCHEMBL22864072 0.84 ADRB2 (0.56) ADRB2ADRB1CYP2D6HIF1ANFKB1
SCHEMBL22864047 0.83 ADRB2 (0.47) ADRB2ADRB1CYP2D6HIF1ANFKB1
SCHEMBL24631008 0.81 ADRB2 (0.45) ADRB2ADRB1CYP2D6HIF1ANFKB1
SCHEMBL24630985 0.76 ADRB2 (0.47) ADRB2ADRB1CYP2D6HIF1ANFKB1
SCHEMBL7980035 0.75 MEN1 (0.42) MEN1KMT2A
SCHEMBL24631022 0.74 ADRB2 (0.55) ADRB2ADRB1CYP2D6HIF1ANFKB1
SCHEMBL22480735 0.74 HIF1A (0.56) ADRB2ADRB1CYP2D6HIF1ANFKB1
SCHEMBL22481180 0.74 HIF1A (0.56) ADRB2ADRB1CYP2D6HIF1ANFKB1
SCHEMBL22493460 0.74 HIF1A (0.56) ADRB2ADRB1CYP2D6HIF1ANFKB1

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 1/4885ADRB1 2/4885CYP2D6 946/4885

“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.