SCHEMBL4524906

SCHEMBL4524906

C[C@H](N)COc1cccc2ncccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 5/20 0.52
HTR2A P28223 2/20 0.44
HTR2B P41595 2/20 0.44
HTR2C P28335 1/20 0.44
SCN4A P35499 3/20 0.44
LMNA P02545 2/20 0.44
SCN1A P35498 2/20 0.44
SCN5A Q14524 2/20 0.44
SCN9A Q15858 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
TSHR P16473 1/20 0.44
NFKB1 P19838 1/20 0.44
KCNK3 O14649 1/20 0.44
CACNA1F O60840 1/20 0.44
KCNK2 O95069 1/20 0.44
GBA1 P04062 1/20 0.44
MAOA P21397 1/20 0.44

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
SCHEMBL2608852 0.87 NR3C1 (0.54) NR3C1CACNA2D1ABCB1KDM4EMAPT
SCHEMBL30523468 0.84 NR3C1 (0.52) NR3C1HTR2AHTR2BHTR2CSCN1A
Hydrochloric Acid SCHEMBL29387602 0.83 NR3C1 (0.51) NR3C1HTR2AHTR2CLMNATSHR
SCHEMBL13978708 0.81 ABCB1 (0.55) NR3C1HTR2AHTR2BHTR2CLMNA
SCHEMBL9601934 0.78 SYK (0.54) NR3C1CACNA2D1KDM4EMAPT
SCHEMBL13533392 0.78 TLR8 (0.47) NR3C1CACNA2D1
SCHEMBL23412378 0.78 MAPT (0.52) NR3C1LMNASLC6A4KDM4EMAPT
SCHEMBL25394459 0.78 SCN4A (0.41) NR3C1HTR2AHTR2BSCN4ALMNA
SCHEMBL25394462 0.78 SCN4A (0.41) NR3C1HTR2AHTR2BSCN4ALMNA
SCHEMBL29029003 0.77 NR2E1 (0.61) HTR2AHTR2BHTR2CLMNASCN1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090093485-A1 Novel Sulphonamide Derivatives as Glucocorticoid Receptor Modulators for the Treatment of Inflammatory Diseases ASTRAZENECA AB (SE) 2009-04-09 US disclosed
EP-1807391-A1 NOVEL SULPHONAMIDE DERIVATIVES AS GLUCOCORTICOID RECEPTOR MODULATORS FOR THE TREATMENT OF INFLAMMATORY DISEASES AstraZeneca AB (SE) 2007-07-18 EP disclosed
WO-2006046916-A1 NOVEL SULPHONAMIDE DERIVATIVES AS GLUCOCORTICOID RECEPTOR MODULATORS FOR THE TREATMENT OF INFLAMMATORY DISEASES ASTRAZENECA AB (SE) 2006-05-04 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-20090093485-A1 Novel Sulphonamide Derivatives as Glucocorticoid Receptor Modulators for the Treatment of Inflammatory Diseases NR3C1, NR3C2, NR5A1 NR3C1 1/4885HTR2A 2151/4885HTR2B 1671/4885

“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.