SCHEMBL6746236

SCHEMBL6746236

COC(=O)c1ccc(C)nc1S[C@H](C[C@H]1COC(C)(C)N1C(=O)OC(C)(C)C)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.34
HSD11B2 P80365 1/20 0.32
NR1H2 P55055 1/20 0.32
NR1H3 Q13133 1/20 0.32
SLC6A2 P23975 3/20 0.32
SLC6A4 P31645 3/20 0.32
CYP2D6 P10635 2/20 0.32
NOS2 P35228 2/20 0.32
SPHK1 Q9NYA1 1/20 0.31
CPB2 Q96IY4 1/20 0.31
EED O75530 1/20 0.31
RBBP4 Q09028 1/20 0.31
SUZ12 Q15022 1/20 0.31
EZH2 Q15910 1/20 0.31
AEBP2 Q6ZN18 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
ALOX5AP P20292 1/20 0.30

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
SCHEMBL6748055 0.79 CYP2D6 (0.39) BRD4HSD11B2SLC6A2SLC6A4CYP2D6
SCHEMBL6748053 0.79 CYP2D6 (0.39) BRD4HSD11B2SLC6A2SLC6A4CYP2D6
SCHEMBL6750153 0.76 KDM4E (0.37) BRD4HSD11B2SPHK1
SCHEMBL6750156 0.76 KDM4E (0.37) BRD4HSD11B2SPHK1
SCHEMBL6752543 0.76 CYP2D6 (0.35) SLC6A2SLC6A4CYP2D6NOS2
SCHEMBL6186125 0.74 CYP2D6 (0.42) BRD4HSD11B2CYP2D6SPHK1
SCHEMBL6186128 0.74 CYP2D6 (0.42) BRD4HSD11B2CYP2D6SPHK1
SCHEMBL6750975 0.74 CYP2D6 (0.52) SLC6A2SLC6A4CYP2D6NOS2SMN1; SMN2
SCHEMBL6842377 0.74 CYP2D6 (0.52) SLC6A2SLC6A4CYP2D6NOS2SMN1; SMN2
SCHEMBL7269484 0.69 SPHK1 (0.47) BRD4HSD11B2NR1H2SPHK1SMN1; SMN2

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-20040242871-A1 Novel arylheteroalkylamine derivatives ASTRAZENECA AB (SE) 2004-12-02 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-20040242871-A1 Novel arylheteroalkylamine derivatives CYP1A1, NOS3, NOS1 BRD4 3935/4885HSD11B2 894/4885NR1H2 119/4885

“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.