SCHEMBL2006793

SCHEMBL2006793

COc1cc(-c2cc(F)ccc2OC)ccc1CN

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.47
CD274 Q9NZQ7 5/20 0.44
LRRK2 Q5S007 1/20 0.42
SYK P43405 1/20 0.42
FFAR4 Q5NUL3 2/20 0.42
NR3C1 P04150 1/20 0.42
PGR P06401 1/20 0.42
PDCD1 Q15116 2/20 0.41
FYN P06241 1/20 0.41
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 2/20 0.41
SLC6A3 Q01959 2/20 0.41
APP P05067 1/20 0.41
BACE1 P56817 1/20 0.41
SLC9A1 P19634 1/20 0.40

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
SCHEMBL2425944 0.84 GAA (0.46) SLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL2526731 0.82 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3
SCHEMBL2002844 0.82 ERN1 (0.47) ERN1CD274PDCD1SLC9A1
SCHEMBL31119318 0.78 SLC6A2 (0.54) SLC6A2SLC6A4SLC6A3
SCHEMBL2447300 0.78 SLC6A2 (0.54) SLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL5597852 0.77 SLC6A2 (0.53) SLC6A2SLC6A4SLC6A3
SCHEMBL15997561 0.76 FFAR4 (0.49) ERN1LRRK2SYKFFAR4NR3C1
SCHEMBL5109971 0.75 S1PR1 (0.47) ERN1CD274LRRK2SYKFFAR4
SCHEMBL2009285 0.74 NR3C1 (0.52) NR3C1PGR
SCHEMBL8940603 0.74 ERN1 (0.51) ERN1LRRK2NR3C1PGRSLC9A1

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 ERN1 1147/4885CD274 3460/4885LRRK2 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.