SCHEMBL2011386

SCHEMBL2011386

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

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
HTT P42858 1/20 0.44
LRRK2 Q5S007 1/20 0.42
NR3C1 P04150 6/20 0.42
PGR P06401 6/20 0.42
PTGS2 P35354 3/20 0.41
PTGS1 P23219 2/20 0.41
ERN1 O75460 1/20 0.40
CTSA P10619 2/20 0.40
NR3C2 P08235 2/20 0.39
CASR P41180 1/20 0.38
APP P05067 1/20 0.38
BACE1 P56817 1/20 0.38
SCN9A Q15858 1/20 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
SCHEMBL2008592 0.86 LRRK2 (0.43) LRRK2NR3C1PGRPTGS2PTGS1
SCHEMBL2009918 0.81 CASR (0.49) LRRK2NR3C1PGRERN1NR3C2
SCHEMBL2009504 0.81 CASR (0.49) LRRK2NR3C1PGRERN1NR3C2
SCHEMBL2002809 0.78 LMNA (0.44) LMNATP53HTTNR3C1PGR
SCHEMBL17767182 0.77 LMNA (0.64) LMNATP53HTTNR3C2
SCHEMBL22855048 0.77 LMNA (0.64) LMNATP53HTTNR3C2
SCHEMBL6816256 0.77 LMNA (0.64) LMNATP53HTTNR3C2
Hydrochloric Acid SCHEMBL19205779 0.76 LMNA (0.62) LMNATP53HTTNR3C2
Hydrochloric Acid SCHEMBL18448148 0.76 LMNA (0.62) LMNATP53HTTNR3C2
Hydrochloric Acid SCHEMBL30542087 0.76 LMNA (0.62) LMNATP53HTTNR3C2

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 LMNA 3879/4885TP53 4723/4885HTT 802/4885

“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.