SCHEMBL4166535

SCHEMBL4166535

COc1ccn2cc(C[C@@H]3CCCCN3C(=O)O)nc2c1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DAGLB Q8NCG7 4/20 0.43
TLR9 Q9NR96 5/20 0.43
TLR7 Q9NYK1 3/20 0.43
METTL3 Q86U44 2/20 0.42
HCRTR1 O43613 1/20 0.42
TP53 P04637 1/20 0.41
KDM4E B2RXH2 5/20 0.41
ALDH1A1 P00352 5/20 0.41
POLB P06746 2/20 0.40
HPGD P15428 1/20 0.40
TRPV1 Q8NER1 1/20 0.40
MAPT P10636 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL2120295 0.88 TLR9 (0.45) DAGLBTLR9TLR7METTL3HCRTR1
SCHEMBL27808115 0.81 KDM4E (0.54) HCRTR1KDM4EALDH1A1HPGD
SCHEMBL4163082 0.81 KDM4E (0.54) HCRTR1KDM4EALDH1A1HPGD
SCHEMBL3470831 0.80 ALDH1A1 (0.39) DAGLBHCRTR1KDM4EALDH1A1POLB
SCHEMBL2616561 0.79 HCRTR1 (0.61) HCRTR1
SCHEMBL8138340 0.78 DAGLA (0.40) DAGLBTLR9TLR7METTL3HCRTR1
SCHEMBL3251052 0.77 PDE8B (0.38) DAGLBKDM4EALDH1A1POLBHPGD
SCHEMBL8160273 0.75 KDM4E (0.51) METTL3HCRTR1TP53KDM4EALDH1A1
SCHEMBL2120937 0.74 METTL3 (0.44) TLR9TLR7METTL3KDM4EALDH1A1
SCHEMBL3676086 0.74 KDM4E (0.56) KDM4EALDH1A1POLBHPGDMAPT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090022670-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2009-01-22 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-20090022670-A1 NOVEL COMPOUNDS UGT1A1, UGT2B7, ABCB1 DAGLB 3924/4885TLR9 4690/4885TLR7 3204/4885

“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.