SCHEMBL2009504

SCHEMBL2009504

COc1ccc(F)cc1-c1ccc([C@@H](C)N)cc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CASR P41180 4/20 0.49
NR3C1 P04150 5/20 0.48
PGR P06401 5/20 0.48
ERN1 O75460 1/20 0.45
SYK P43405 1/20 0.43
LRRK2 Q5S007 1/20 0.43
FFAR4 Q5NUL3 2/20 0.43
MMEL1 Q495T6 1/20 0.42
NR3C2 P08235 1/20 0.39
P2RX3 P56373 1/20 0.39
P2RX2 Q9UBL9 1/20 0.39
APP P05067 1/20 0.39
BACE1 P56817 1/20 0.39

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
SCHEMBL2009918 1.00 CASR (0.49) CASRNR3C1PGRERN1SYK
SCHEMBL4971998 0.84 CASR (0.50) CASRNR3C1PGRERN1SYK
SCHEMBL2006872 0.83 CASR (0.47) CASRERN1SYKBACE1
SCHEMBL5234949 0.83 CASR (0.47) CASRERN1SYKBACE1
Hydrochloric Acid SCHEMBL2006333 0.82 CASR (0.49) CASRNR3C1PGRERN1SYK
SCHEMBL2011386 0.81 LMNA (0.44) CASRNR3C1PGRERN1LRRK2
SCHEMBL2006306 0.81 ADRB2 (0.52) CASRERN1MMEL1
SCHEMBL5236993 0.81 ADRB2 (0.52) CASRERN1MMEL1
SCHEMBL2008592 0.81 LRRK2 (0.43) NR3C1PGRERN1SYKLRRK2
SCHEMBL29225791 0.80 PTPRC (0.50) CASRAPP

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 2 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
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 CASR 517/4885NR3C1 1/4885PGR 131/4885

“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.