SCHEMBL2008592

SCHEMBL2008592

COc1ccc(F)cc1-c1ccc(C(C)N)c(F)c1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.43
ERN1 O75460 1/20 0.42
NR3C1 P04150 6/20 0.42
PGR P06401 6/20 0.42
NR3C2 P08235 2/20 0.42
PDE2A O00408 1/20 0.42
ALOX5AP P20292 1/20 0.41
FEN1 P39748 1/20 0.41
CTSA P10619 1/20 0.41
PTGS2 P35354 3/20 0.40
PTGS1 P23219 2/20 0.40
APP P05067 1/20 0.39
BACE1 P56817 1/20 0.39
SLC9A1 P19634 1/20 0.39
SYK P43405 1/20 0.38
FFAR4 Q5NUL3 2/20 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
SCHEMBL2002809 0.86 LMNA (0.44) ERN1NR3C1PGRPDE2AALOX5AP
SCHEMBL2011386 0.86 LMNA (0.44) LRRK2ERN1NR3C1PGRNR3C2
SCHEMBL2009918 0.81 CASR (0.49) LRRK2ERN1NR3C1PGRNR3C2
SCHEMBL2009504 0.81 CASR (0.49) LRRK2ERN1NR3C1PGRNR3C2
SCHEMBL10094432 0.79 PTGS2 (0.46) ERN1NR3C1PGRNR3C2PTGS2
SCHEMBL5237877 0.77 LRRK2 (0.49) LRRK2ERN1NR3C1PGRCTSA
SCHEMBL25180793 0.76 CYP2D6 (0.41) PDE2A
SCHEMBL30166162 0.76 CYP2D6 (0.41) PDE2A
SCHEMBL3725877 0.76 CYP2D6 (0.41) PDE2A
SCHEMBL30949362 0.76 CYP2D6 (0.41) PDE2A

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-7960365-B2 Compounds with medicinal effects due to interaction with the glucocorticoid receptor N.V. ORGANON (NL) 2011-06-14 US disclosed
EP-1965785-A1 COMPOUNDS WITH MEDICINAL EFFECTS DUE TO INTERACTION WITH THE GLUCOCORTICOID RECEPTOR N.V. Organon (NL) 2008-09-10 EP disclosed
WO-2007071638-A1 COMPOUNDS WITH MEDICINAL EFFECTS DUE TO INTERACTION WITH THE GLUCOCORTICOID RECEPTOR N.V. ORGANON (NL) 2007-06-28 WO disclosed
US-20070149577-A1 Compounds with medicinal effects due to interaction with the glucocorticoid receptor N.V. ORGANON (NL) 2007-06-28 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-20070149577-A1 Compounds with medicinal effects due to interaction with the glucocorticoid receptor NR3C1, NR3C2, MC2R LRRK2 2395/4885ERN1 1147/4885NR3C1 1/4885

“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.