SCHEMBL4985394

SCHEMBL4985394

Cn1cc(C2=C(c3cc(OCCN4CCOCC4)cc4ccoc34)C(=O)OC2=O)c2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 8/20 0.53
INPPL1 O15357 1/20 0.41
SIGMAR1 Q99720 2/20 0.40
ADORA3 P0DMS8 1/20 0.40
ADORA2A P29274 1/20 0.40
ADORA2B P29275 1/20 0.40
ADORA1 P30542 1/20 0.40
EGFR P00533 1/20 0.40
MAOB P27338 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
SCHEMBL5255607 0.92 GSK3B (0.52) GSK3BADORA3ADORA2AADORA2BADORA1
Hydrochloric Acid SCHEMBL5259095 0.91 GSK3B (0.63) GSK3B
SCHEMBL6582702 0.83 GSK3B (0.56) GSK3BINPPL1ADORA2AADORA1
SCHEMBL4987619 0.83 GSK3B (0.44) GSK3BSIGMAR1
SCHEMBL4991291 0.78 GSK3B (0.46) GSK3B
SCHEMBL4994634 0.78 GSK3B (0.46) GSK3B
SCHEMBL4996272 0.76 GSK3B (0.48) GSK3B
SCHEMBL6581578 0.76 GSK3B (0.55) GSK3BADORA2AADORA1
SCHEMBL4990655 0.75 GSK3B (0.44) GSK3BSIGMAR1
SCHEMBL6584593 0.75 GSK3B (0.72) GSK3B

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-7405305-B2 Pyrrole-2, 5dione derivatives and their used as GSK-3 inhibitors ELI LILLY AND COMPANY (US) 2008-07-29 US disclosed
EP-1487822-B1 PYRROLE-2,5-DIONE DERIVATIVES AND THEIR USE AS GSK-3 INHIBITORS LILLY CO ELI (US) 2007-08-01 EP disclosed
US-20050288321-A1 Kinase inhibitors ELI LILLY AND COMPANY 2005-12-29 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-20050288321-A1 Kinase inhibitors ABL1, MAP3K20, MAP3K19 GSK3B 205/4885INPPL1 820/4885SIGMAR1 2802/4885

“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.