SCHEMBL5230209

SCHEMBL5230209

COc1cc(-c2cc(Cl)cnc2OC)ccc1C(C)N

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.40
CD274 Q9NZQ7 6/20 0.40
PDCD1LG2 Q9BQ51 3/20 0.40
BACE1 P56817 1/20 0.39
SCN9A Q15858 2/20 0.38
METAP2 P50579 1/20 0.38
FYN P06241 2/20 0.37
KCNH2 Q12809 1/20 0.36
AAK1 Q2M2I8 1/20 0.36
SCN5A Q14524 1/20 0.36
PDCD1 Q15116 3/20 0.36
KIT P10721 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
HTT P42858 1/20 0.36
TGFBR1 P36897 1/20 0.35

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
SCHEMBL2009544 1.00 FFAR4 (0.40) FFAR4CD274PDCD1LG2BACE1SCN9A
SCHEMBL27780041 0.81 FFAR4 (0.46) FFAR4CD274BACE1SCN9AMETAP2
SCHEMBL2004116 0.81 FFAR4 (0.46) FFAR4CD274BACE1SCN9AMETAP2
SCHEMBL5230201 0.74 FFAR4 (0.45) FFAR4BACE1SCN9AMETAP2FYN
SCHEMBL5231980 0.71 ADRB2 (0.41) FFAR4KCNH2
SCHEMBL2006705 0.71 ADRB2 (0.41) FFAR4KCNH2
SCHEMBL30980806 0.70 DYRK1A (0.41) CD274PDCD1LG2BACE1LMNATP53
SCHEMBL11890406 0.69 TSHR (0.43) CD274PDCD1LG2PDCD1LMNA
SCHEMBL27827494 0.69 TGFBR1 (0.58) FYNTGFBR1
SCHEMBL2002809 0.68 LMNA (0.44) LMNATP53HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 FFAR4 84/4885CD274 3460/4885PDCD1LG2 4328/4885

“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.