SCHEMBL24630899

SCHEMBL24630899

CC(C)(C)NCCc1ccc2c(n1)NCCO2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 7/20 0.38
ITGAV P06756 7/20 0.38
ITGB1 P05556 1/20 0.38
ITGA5 P08648 1/20 0.38
ADRA2A P08913 4/20 0.36
ADRA2C P18825 4/20 0.36
ADRA1D P25100 4/20 0.36
ADRA1A P35348 4/20 0.36
ADRA1B P35368 4/20 0.36
ADRA2B P18089 3/20 0.36
PDE10A Q9Y233 1/20 0.34
CXCR4 P61073 5/20 0.33
GRM5 P41594 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32
ITGA2B P08514 1/20 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
SCHEMBL26538782 0.80 ITGB3 (0.39) ITGB3ITGAVITGB1ITGA5ADRA2A
SCHEMBL8172614 0.78 ITGAV (0.38) ITGB3ITGAVITGB1ITGA5PDE10A
SCHEMBL2494472 0.77 ITGAV (0.41) ITGB3ITGAVITGB1ITGA5PDE10A
SCHEMBL24440037 0.77 ITGAV (0.39) ITGB3ITGAVITGB1ITGA5ADRA2A
SCHEMBL26457526 0.77 ALDH1A1 (0.40) ITGB3ITGAVITGB1ITGA5ADRA2A
SCHEMBL12807108 0.77 KCNH2 (0.42) ITGB3ITGAVITGB1ITGA5PDE10A
SCHEMBL22864131 0.77 CXCR4 (0.44) ITGB3ITGAVCXCR4ITGA2B
SCHEMBL8039387 0.75 ITGAV (0.40) ITGB3ITGAVITGB1ITGA5PDE10A
SCHEMBL14476045 0.74 GRM5 (0.39) ITGB3ITGAVITGB1ITGA5ADRA2A
SCHEMBL24630901 0.73 HIF1A (0.47) 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 ITGB3 942/4885ITGAV 904/4885ITGB1 1261/4885

“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.