SCHEMBL29866225

SCHEMBL29866225

COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c(N)c2)cc1

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 17/20 0.69
ADRB1 P08588 5/20 0.69
ADRB3 P13945 3/20 0.69
DRD2 P14416 2/20 0.69
SLC6A4 P31645 2/20 0.69
ADRA1A P35348 2/20 0.69
PGR P06401 1/20 0.69
PTGS2 P35354 1/20 0.69
SLC6A3 Q01959 1/20 0.69
CYP1A2 P05177 1/20 0.69
CYP3A4 P08684 1/20 0.69
CYP2D6 P10635 1/20 0.69
TSHR P16473 1/20 0.69
MAPK1 P28482 1/20 0.69
CYP2C19 P33261 1/20 0.69
DRD3 P35462 1/20 0.69
HTR1A P08908 1/20 0.56
SLC6A2 P23975 1/20 0.56

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
SCHEMBL593753 1.00 ADRB2 (0.69) ADRB2ADRB1ADRB3DRD2SLC6A4
SCHEMBL721150 1.00 ADRB2 (0.69) ADRB2ADRB1ADRB3DRD2SLC6A4
SCHEMBL27657195 1.00 ADRB2 (0.69) ADRB2ADRB1ADRB3DRD2SLC6A4
SCHEMBL15271352 1.00 ADRB2 (0.69) ADRB2ADRB1ADRB3DRD2SLC6A4
SCHEMBL593754 1.00 ADRB2 (0.69) ADRB2ADRB1ADRB3DRD2SLC6A4
SCHEMBL11810215 0.89 ADRB2 (0.73) ADRB2ADRB1ADRB3DRD2SLC6A4
SCHEMBL4684534 0.89 ADRA1A (0.71) ADRB2ADRB1ADRB3DRD2SLC6A4
SCHEMBL594467 0.86 ADRB2 (0.70) ADRB2ADRB1ADRB3DRD2SLC6A4
SCHEMBL594466 0.86 ADRB2 (0.70) ADRB2ADRB1ADRB3DRD2SLC6A4
Salmefamol SCHEMBL20285629 0.85 ADRB2 (0.67) ADRB2ADRB1ADRB3DRD2SLC6A4

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-11464862-B2 DPI formulation containing sulfoalkyl ether cyclodextrin CYDEX PHARMACEUTICALS, INC. (US) 2022-10-11 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-11464862-B2 DPI formulation containing sulfoalkyl ether cyclodextrin DSP, DSC1, SAE1 ADRB2 1196/4885ADRB1 1315/4885ADRB3 1548/4885

“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.