SCHEMBL4171102

SCHEMBL4171102

O=C(O)N[C@H]1CCN(c2cccc3c2cnn3-c2ccc(F)cc2)C1

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 1/20 0.65
MAPK1 P28482 1/20 0.46
SCN9A Q15858 9/20 0.44
SCN10A Q9Y5Y9 7/20 0.44
CCR1 P32246 3/20 0.43
MAPK14 Q16539 3/20 0.41
RPS6KB1 P23443 1/20 0.41
CYP17A1 P05093 1/20 0.41
CYP1A2 P05177 1/20 0.41
SCN5A Q14524 1/20 0.40

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
SCHEMBL4175548 0.89 NR3C1 (0.53) NR3C1MAPK1SCN9ASCN10ACCR1
SCHEMBL4168046 0.80 NR3C1 (0.72) NR3C1SCN9ASCN10ACCR1CYP17A1
SCHEMBL4166444 0.80 NR3C1 (0.57) NR3C1SCN9ASCN10ACCR1CYP17A1
SCHEMBL4168041 0.79 NR3C1 (1.00) NR3C1
SCHEMBL4158857 0.79 NR3C1 (0.80) NR3C1CCR1CYP17A1CYP1A2
SCHEMBL4164112 0.78 NR3C1 (0.82) NR3C1CCR1CYP17A1CYP1A2
SCHEMBL14403954 0.78 NR3C1 (0.82) NR3C1CCR1CYP17A1CYP1A2
SCHEMBL4158339 0.77 NR3C1 (0.76) NR3C1SCN9ASCN10ACCR1MAPK14
SCHEMBL16422685 0.76 NOTUM (0.61) MAPK1
SCHEMBL16422984 0.76 NOTUM (0.61) MAPK1

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-20090170898-A1 Sulphonamide Derivatives as Modulators of the Glucocorticoid Receptor BENGTSSON MALENA 2009-07-02 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-20090170898-A1 Sulphonamide Derivatives as Modulators of the Glucocorticoid Receptor NR3C1, NR3C2, NR5A1 NR3C1 1/4885MAPK1 1075/4885SCN9A 310/4885

“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.