SCHEMBL4170944

SCHEMBL4170944

Cc1nn(C2CCCC2)c(C)c1S(=O)(=O)N[C@H]1CCN(c2cccc3ncccc23)C1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 8/20 0.42
BRD4 O60885 1/20 0.37
OPRK1 P41145 2/20 0.37
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
OGFRL1 Q5TC84 1/20 0.37
PGR P06401 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
HTR1A P08908 2/20 0.36
HTR7 P34969 2/20 0.36
DRD2 P14416 1/20 0.36
HTR6 P50406 1/20 0.36
PDE10A Q9Y233 1/20 0.35
AKT1 P31749 1/20 0.35
SMPD3 Q9NY59 1/20 0.34
NMT1 P30419 2/20 0.34
KEAP1 Q14145 1/20 0.34

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
SCHEMBL4175573 0.85 NR3C1 (0.43) NR3C1BRD4HTR1AHTR7DRD2
SCHEMBL4173787 0.81 NR3C1 (0.59) NR3C1BRD4HTR1AHTR7DRD2
SCHEMBL4158915 0.78 NR3C1 (0.71) NR3C1PGRCYP3A4CYP2C9
SCHEMBL4168774 0.78 NR3C1 (0.62) NR3C1PGRCYP3A4CYP2C9
SCHEMBL4168032 0.77 NR3C1 (0.46) NR3C1HTR1AHTR7DRD2HTR6
SCHEMBL4169959 0.77 NR3C1 (0.50) NR3C1CYP3A4HTR1AHTR7DRD2
SCHEMBL5603836 0.77 NR3C1 (0.55) NR3C1BRD4HTR1AHTR7DRD2
SCHEMBL4175480 0.76 NR3C1 (0.48) NR3C1BRD4HTR1AHTR7DRD2
SCHEMBL4163578 0.74 NR3C1 (0.48) NR3C1BRD4OPRK1OPRM1OPRD1
SCHEMBL14404036 0.74 NR3C1 (0.48) NR3C1BRD4OPRK1OPRM1OPRD1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090170898-A1 Sulphonamide Derivatives as Modulators of the Glucocorticoid Receptor BENGTSSON MALENA 2009-07-02 US disclosed
US-20090170898-A1 Sulphonamide Derivatives as Modulators of the Glucocorticoid Receptor BENGTSSON MALENA 2009-07-02 US disclosed
US-20090170898-A1 Sulphonamide Derivatives as Modulators of the Glucocorticoid Receptor BENGTSSON MALENA 2009-07-02 US disclosed
WO-2007114763-A1 SULPHONAMIDE DERIVATES AS MODULATORS OF THE GLUCOCORTICOID RECEPTOR ASTRAZENECA AB (SE) 2007-10-11 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-20090170898-A1 Sulphonamide Derivatives as Modulators of the Glucocorticoid Receptor NR3C1, NR3C2, NR5A1 NR3C1 1/4885BRD4 2260/4885OPRK1 1028/4885

“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.