SCHEMBL2004116

SCHEMBL2004116

COc1ncc(Cl)cc1-c1ccc([C@@H](C)N)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.46
ADRB2 P07550 1/20 0.43
CIT O14578 1/20 0.41
BACE1 P56817 1/20 0.39
PDCD1 Q15116 2/20 0.39
CD274 Q9NZQ7 2/20 0.39
METAP2 P50579 1/20 0.38
LMNA P02545 1/20 0.37
CYP2C9 P11712 1/20 0.37
TSHR P16473 1/20 0.37
APEX1 P27695 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PTGS2 P35354 5/20 0.37
PTGS1 P23219 4/20 0.37
CTSA P10619 2/20 0.37
SCN5A Q14524 1/20 0.36
SCN9A Q15858 1/20 0.36
MAP4K4 O95819 1/20 0.36
NR3C1 P04150 1/20 0.36
PGR P06401 1/20 0.36

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
SCHEMBL27780041 1.00 FFAR4 (0.46) FFAR4ADRB2CITBACE1PDCD1
SCHEMBL2006705 0.86 ADRB2 (0.41) FFAR4ADRB2CITTSHRPTGS2
SCHEMBL5231980 0.86 ADRB2 (0.41) FFAR4ADRB2CITTSHRPTGS2
SCHEMBL2004849 0.83 CIT (0.41) CITCTSASCN9ANR3C1PGR
SCHEMBL2009544 0.81 FFAR4 (0.40) FFAR4BACE1PDCD1CD274METAP2
SCHEMBL5230209 0.81 FFAR4 (0.40) FFAR4BACE1PDCD1CD274METAP2
SCHEMBL4978225 0.79 CYP1A2 (0.57) FFAR4CITLMNACYP2C9TSHR
SCHEMBL23364099 0.77 DHFR (0.44) FFAR4SMN1; SMN2MAP4K4NR3C1PGR
SCHEMBL2006463 0.75 NR3C1 (0.49) CITPTGS2NR3C1PGR
SCHEMBL2006306 0.75 ADRB2 (0.52) ADRB2SMN1; SMN2CTSA

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 3 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
CN-101534811-A Compounds with medicinal effects due to interaction with the glucocorticoid receptor ORGANON NV (NL) 2009-09-16 CN 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 FFAR4 84/4885ADRB2 104/4885CIT 3115/4885

“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.