SCHEMBL2006644

SCHEMBL2006644

CCCc1c(-c2cc(F)ccc2OC)ccc(C(C)N)c1OC

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.34
ERN1 O75460 1/20 0.34
LRRK2 Q5S007 2/20 0.33
GCGR P47871 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33
F2RL1 P55085 3/20 0.33
RPS6KA2 Q15349 1/20 0.33
JAK2 O60674 1/20 0.32
JAK3 P52333 1/20 0.32
SLC9A1 P19634 1/20 0.32
AMY1A P0DUB6 1/20 0.32

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
SCHEMBL4973300 0.87 CYSLTR2 (0.38) ERN1
SCHEMBL2007148 0.77 LTB4R (0.41) ERN1SLC9A1
SCHEMBL2003579 0.76 CETP (0.40) LRRK2OPRM1OPRD1OPRK1
SCHEMBL4973294 0.76 ERN1 (0.35) KDM4EERN1LRRK2SLC9A1
SCHEMBL2007273 0.74 SLC9A1 (0.33) KDM4EERN1RPS6KA2SLC9A1AMY1A
SCHEMBL2008104 0.73 NR3C1 (0.62)
SCHEMBL2008592 0.70 LRRK2 (0.43) ERN1LRRK2SLC9A1
SCHEMBL895659 0.70 CYP2D6 (0.49) KDM4E
SCHEMBL669891 0.70 CYP2D6 (0.49) KDM4E
SCHEMBL29429683 0.70 CYP2D6 (0.49) KDM4E

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 KDM4E 2478/4885ERN1 1147/4885LRRK2 2395/4885

“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.