SCHEMBL24630901

SCHEMBL24630901

CC(C)(C)NC[C@H](O)c1ccc2c(n1)NCCO2

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 3/20 0.47
LMNA P02545 2/20 0.47
ADRB1 P08588 4/20 0.44
ADRB2 P07550 7/20 0.41
CYP2D6 P10635 1/20 0.35
NFKB1 P19838 1/20 0.35
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
TSHR P16473 1/20 0.34
CASP7 P55210 1/20 0.34
KMT2A Q03164 1/20 0.34
BLM P54132 1/20 0.34
ADRB3 P13945 1/20 0.33
ALOX5AP P20292 1/20 0.33
FEN1 P39748 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
SCHEMBL24630951 0.80 ADRB1 (0.51) HIF1ALMNAADRB1ADRB2CYP2D6
SCHEMBL24631053 0.79 HIF1A (0.50) HIF1ALMNAADRB1ADRB2CYP2D6
SCHEMBL24630900 0.74 ADRB2 (0.47) ADRB1ADRB2KMT2AADRB3
SCHEMBL13340897 0.74 ALDH1A1 (0.40) ALOX5APFEN1
SCHEMBL24630902 0.74 ADRB2 (0.47) ADRB1ADRB2CYP2D6CYP3A4TSHR
SCHEMBL24630899 0.73 ITGB3 (0.38) ALOX5APFEN1
SCHEMBL16668453 0.71 ALDH1A1 (0.37) ALOX5APFEN1
SCHEMBL16668121 0.71 ALDH1A1 (0.37) ALOX5APFEN1
SCHEMBL6261283 0.70 JAK2 (0.34)
SCHEMBL21400681 0.68 ALDH1A1 (0.44) ALOX5APFEN1

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 1 patent. 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

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 HIF1A 2371/4885LMNA 1389/4885ADRB1 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.