SCHEMBL4663313

SCHEMBL4663313

O=C1C=CCN1CCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 3/20 0.55
GSK3B P49841 3/20 0.55
MGLL Q99685 2/20 0.55
MEN1 O00255 1/20 0.46
USP2 O75604 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
HTT P42858 1/20 0.46
KMT2A Q03164 1/20 0.46
HSD17B10 Q99714 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
FAAH O00519 1/20 0.46
MAOA P21397 1/20 0.45
ACHE P22303 1/20 0.44
SLC6A3 Q01959 1/20 0.43
DAO P14920 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42

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
SCHEMBL10641903 0.83 GSK3A (0.53) GSK3AGSK3BMGLLMEN1MAPT
SCHEMBL20131079 0.76 HSP90AA1 (0.35) GAAMAPTHTTKMT2ADAO
SCHEMBL30158838 0.74 MGLL (0.59) GSK3AGSK3BMGLLKMT2AL3MBTL1
SCHEMBL4283301 0.73 KMT2A (0.56) GSK3AGSK3BMGLLMEN1USP2
SCHEMBL2182714 0.71 GAA (0.50) GSK3AGSK3BMGLLMEN1USP2
SCHEMBL8536193 0.71
SCHEMBL211905 0.71 GSK3A (1.00) GSK3AGSK3BMGLLMEN1USP2
SCHEMBL6481556 0.71
SCHEMBL11513541 0.70 NPC1 (0.58) GSK3AGSK3BMGLLMEN1USP2
SCHEMBL13741239 0.70 KDM4E (0.42) MEN1MAPTHTTKMT2AL3MBTL1

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
CN-110062753-A Antiviral compounds 哈普洛根有限责任公司 2019-07-26 CN disclosed
US-20080132562-A1 TETRONIC AND TETRAMIC ACIDS GODEL THIERRY 2008-06-05 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-20080132562-A1 TETRONIC AND TETRAMIC ACIDS BACE1, PSEN1, BACE2 GSK3A 797/4885GSK3B 562/4885MGLL 3448/4885

“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.