SCHEMBL4175548

SCHEMBL4175548

O=C(O)N[C@H]1CCN(c2cccc3c2cnn3-c2ccc(F)nc2)C1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 3/20 0.53
SCN9A Q15858 12/20 0.42
SCN10A Q9Y5Y9 9/20 0.42
CCR1 P32246 1/20 0.42
MAPK1 P28482 2/20 0.42
PGR P06401 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
SCN5A Q14524 1/20 0.38
ACKR3 P25106 1/20 0.38
MAPK8 P45983 1/20 0.38
MAPK9 P45984 1/20 0.38
MAPK10 P53779 1/20 0.38

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
SCHEMBL4171102 0.89 NR3C1 (0.65) NR3C1SCN9ASCN10ACCR1MAPK1
SCHEMBL4172404 0.81 NR3C1 (0.46) NR3C1SCN9ASCN10ACCR1PGR
SCHEMBL4176927 0.80 NR3C1 (0.83) NR3C1PGRCYP3A4CYP2C9
SCHEMBL4166472 0.79 NR3C1 (0.64) NR3C1SCN9ASCN10ACCR1PGR
SCHEMBL4163647 0.77 NR3C1 (0.68) NR3C1SCN9ASCN10ACCR1PGR
SCHEMBL4168774 0.76 NR3C1 (0.62) NR3C1SCN9ASCN10APGRCYP3A4
SCHEMBL1255335 0.71 CCR1 (0.58) NR3C1CCR1
SCHEMBL4168046 0.71 NR3C1 (0.72) NR3C1SCN9ASCN10ACCR1PGR
SCHEMBL4163672 0.70 MTNR1A (0.44)
SCHEMBL4168041 0.70 NR3C1 (1.00) NR3C1PGRCYP3A4CYP2C9

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 2 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
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 1/4885SCN9A 310/4885SCN10A 388/4885

“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.