SCHEMBL2005877

SCHEMBL2005877

COc1ncc(F)cc1-c1ccc(CN)cc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.41
AKT2 P31751 1/20 0.41
FFAR4 Q5NUL3 1/20 0.39
LOXL2 Q9Y4K0 3/20 0.39
GRM7 Q14831 1/20 0.39
SQOR Q9Y6N5 1/20 0.38
MAOB P27338 5/20 0.37
CYP2A6 P11509 1/20 0.37
LOX P28300 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
CTSA P10619 2/20 0.37
ADRB2 P07550 1/20 0.37
PDCD1 Q15116 1/20 0.36
CD274 Q9NZQ7 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
SCHEMBL2010556 0.80 NR3C1 (0.49) GRM7
SCHEMBL2004916 0.79 RORC (0.46) AKT2LOXL2CTSA
SCHEMBL2004849 0.78 CIT (0.41) GRM7SQORCTSA
SCHEMBL2003302 0.75 CTSA (0.39) GRM7SQORCTSA
SCHEMBL2004333 0.75 SYK (0.45) FFAR4GRM7SQORMAOBCTSA
SCHEMBL4970482 0.75 SQOR (0.45) FFAR4GRM7SQORCTSA
SCHEMBL16113459 0.75 CTSA (0.44) FFAR4SQORCTSA
SCHEMBL16113607 0.73 CTSA (0.43) FFAR4SQORCTSA
SCHEMBL16294143 0.73 SCN9A (0.43) GRM7MAOB
SCHEMBL4470876 0.73 CYP2C9 (0.40) LOXL2LOXPDCD1CD274

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 TAAR1 244/4885AKT2 2741/4885FFAR4 84/4885

“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.