SCHEMBL2004849

SCHEMBL2004849

COc1ncc(F)cc1-c1ccc(C(C)N)cc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CIT O14578 1/20 0.41
ALOX5AP P20292 1/20 0.38
FEN1 P39748 1/20 0.38
SQOR Q9Y6N5 2/20 0.37
CTSA P10619 2/20 0.36
PIK3CA P42336 2/20 0.36
MTOR P42345 1/20 0.36
NR3C1 P04150 2/20 0.36
SCN9A Q15858 2/20 0.36
PGR P06401 1/20 0.36
P2RX3 P56373 1/20 0.35
P2RX2 Q9UBL9 1/20 0.35
GPBAR1 Q8TDU6 1/20 0.35
ALK Q9UM73 1/20 0.34
GRM7 Q14831 1/20 0.34
MAPT P10636 1/20 0.34
CASP1 P29466 1/20 0.34

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
SCHEMBL2003302 0.86 CTSA (0.39) ALOX5APFEN1SQORCTSAPIK3CA
SCHEMBL2004116 0.83 FFAR4 (0.46) CITCTSANR3C1SCN9APGR
SCHEMBL27780041 0.83 FFAR4 (0.46) CITCTSANR3C1SCN9APGR
SCHEMBL2002894 0.79 ADRB2 (0.42) CITGPBAR1
SCHEMBL2003919 0.79 ADRB2 (0.42) CITGPBAR1
SCHEMBL2005877 0.78 TAAR1 (0.41) SQORCTSAGRM7
SCHEMBL2006367 0.76 TNF (0.38) SQORCTSANR3C1
SCHEMBL22996519 0.75 MAP4K1 (0.38) PIK3CAMTORSCN9AP2RX3P2RX2
SCHEMBL18361541 0.75 MAP4K1 (0.38) PIK3CAMTORSCN9AP2RX3P2RX2
SCHEMBL29167804 0.75 MAP4K1 (0.38) PIK3CAMTORSCN9AP2RX3P2RX2

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
US-20070149577-A1 Compounds with medicinal effects due to interaction with the glucocorticoid receptor N.V. ORGANON (NL) 2007-06-28 US disclosed
WO-2007071638-A1 COMPOUNDS WITH MEDICINAL EFFECTS DUE TO INTERACTION WITH THE GLUCOCORTICOID RECEPTOR N.V. ORGANON (NL) 2007-06-28 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-20070149577-A1 Compounds with medicinal effects due to interaction with the glucocorticoid receptor NR3C1, NR3C2, MC2R CIT 3115/4885ALOX5AP 1784/4885FEN1 3393/4885

“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.