SCHEMBL4172404

SCHEMBL4172404

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

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 3/20 0.46
CCR1 P32246 1/20 0.40
KHK P50053 1/20 0.40
SCN9A Q15858 11/20 0.38
SCN10A Q9Y5Y9 3/20 0.38
SCN5A Q14524 1/20 0.38
PGR P06401 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
PIM1 P11309 2/20 0.37
PIM3 Q86V86 2/20 0.37
PIM2 Q9P1W9 2/20 0.37
CCNC P24863 1/20 0.36
CDK8 P49336 1/20 0.36
DYRK1A Q13627 1/20 0.36

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
SCHEMBL4166444 0.88 NR3C1 (0.57) NR3C1CCR1KHKSCN9ASCN10A
SCHEMBL4175548 0.81 NR3C1 (0.53) NR3C1CCR1SCN9ASCN10ASCN5A
SCHEMBL955655 0.78 CCNC (0.47) KHKPIM1CCNCCDK8
SCHEMBL955656 0.78 CCNC (0.47) KHKPIM1CCNCCDK8
Hydrochloric Acid SCHEMBL951787 0.77 CCNC (0.46) KHKPIM1CCNCCDK8
Hydrochloric Acid SCHEMBL951995 0.77 CCNC (0.46) KHKPIM1CCNCCDK8
SCHEMBL4176927 0.75 NR3C1 (0.83) NR3C1PGRCYP3A4CYP2C9
SCHEMBL4166472 0.75 NR3C1 (0.64) NR3C1CCR1SCN9ASCN10APGR
SCHEMBL4572945 0.73 MKNK1 (0.47) NR3C1CCR1SCN9APGRCYP3A4
SCHEMBL4163647 0.72 NR3C1 (0.68) NR3C1CCR1SCN9ASCN10APGR

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 1/4885CCR1 870/4885KHK 2199/4885

“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.