SCHEMBL2006705

SCHEMBL2006705

CCOc1ncc(Cl)cc1-c1ccc([C@@H](C)N)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.41
CIT O14578 1/20 0.39
FFAR4 Q5NUL3 1/20 0.37
S1PR1 P21453 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
PTGS1 P23219 2/20 0.34
PTGS2 P35354 2/20 0.34
MAP4K4 O95819 1/20 0.34
ALDH1A1 P00352 2/20 0.34
TSHR P16473 1/20 0.34
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 0.34
LTA4H P09960 3/20 0.33
KCNH2 Q12809 2/20 0.33
ROCK2 O75116 1/20 0.33
MAPT P10636 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MYC P01106 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL5231980 1.00 ADRB2 (0.41) ADRB2CITFFAR4S1PR1MEN1
SCHEMBL27780041 0.86 FFAR4 (0.46) ADRB2CITFFAR4PTGS1PTGS2
SCHEMBL2004116 0.86 FFAR4 (0.46) ADRB2CITFFAR4PTGS1PTGS2
SCHEMBL2007267 0.78 AGPAT2 (0.48) ADRB2TSHRHPGDMAPT
SCHEMBL2005434 0.78 AGPAT2 (0.48) ADRB2TSHRHPGDMAPT
SCHEMBL2004065 0.77 PTGER4 (0.34) FFAR4MEN1KMT2APTGS1PTGS2
SCHEMBL2006626 0.76 PDE1A (0.43) CIT
SCHEMBL2006964 0.76 FFAR4 (0.44) FFAR4ALDH1A1MAPT
SCHEMBL5231977 0.75 FFAR4 (0.42) FFAR4MEN1KMT2APTGS1PTGS2
SCHEMBL13877375 0.72 S1PR1 (0.38) ADRB2S1PR1TSHRL3MBTL1

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 ADRB2 104/4885CIT 3115/4885FFAR4 84/4885

“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.