SCHEMBL2003579

SCHEMBL2003579

CCCc1cc(C(C)N)ccc1-c1cc(F)ccc1OC

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CETP P11597 1/20 0.40
GABRA1 P14867 1/20 0.36
GABRB2 P47870 1/20 0.36
HMGCR P04035 1/20 0.36
HRH4 Q9H3N8 1/20 0.36
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36
TACR1 P25103 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
SLC6A2 P23975 5/20 0.34
SLC6A4 P31645 5/20 0.34
SLC6A3 Q01959 5/20 0.34
ELANE P08246 1/20 0.34
LRRK2 Q5S007 2/20 0.34
CASR P41180 1/20 0.34

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
SCHEMBL2005113 0.83 GABRA1 (0.41) CETPGABRA1GABRB2OPRM1OPRD1
SCHEMBL2006644 0.76 KDM4E (0.34) OPRM1OPRD1OPRK1LRRK2
SCHEMBL2009504 0.76 CASR (0.49) LRRK2CASR
SCHEMBL2009918 0.76 CASR (0.49) LRRK2CASR
SCHEMBL2011363 0.75 CETP (0.41) CETPPTGDR2
SCHEMBL12844526 0.73 HMGCR (0.53) GABRA1GABRB2HMGCRSLC6A2SLC6A4
SCHEMBL22301040 0.72 GABRA1 (0.51) CETPGABRA1GABRB2HMGCRPTGDR2
SCHEMBL10361592 0.72 TAAR1 (0.54)
SCHEMBL8940603 0.71 ERN1 (0.51) LRRK2
SCHEMBL2009982 0.70 NR3C1 (0.37) OPRM1OPRD1OPRK1SLC6A2SLC6A4

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 CETP 3998/4885GABRA1 224/4885GABRB2 431/4885

“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.