SCHEMBL5776466

SCHEMBL5776466

O=C(O)N1CCN(c2nc3cnn(COCc4ccccc4)c(=O)c3[nH]2)CC1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 15/20 0.45
GRM5 P41594 1/20 0.39
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
EGLN1 Q9GZT9 1/20 0.37
HTR2B P41595 1/20 0.37

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
SCHEMBL2961094 0.89 ACHE (0.45) MGLL
SCHEMBL27604336 0.79 ALDH1A1 (0.45) GRM5MAPT
SCHEMBL27623279 0.74 HTR3A (0.40) MGLLTP53MAPTHTR2B
SCHEMBL2956487 0.70 MAPT (0.41) MAPT
SCHEMBL27093489 0.69 ALDH1A1 (0.39) MAPTEGLN1
SCHEMBL5188945 0.67 TEAD3 (0.52) GRM5
SCHEMBL20898065 0.67 MGLL (0.72) MGLL
SCHEMBL13217398 0.65 DPP4 (0.49)
SCHEMBL23122130 0.65 NPC1 (0.46) GRM5MAPT
SCHEMBL13911130 0.64 ALDH1A1 (0.42) TP53MAPTEGLN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100469778-C Novel fused imidazole derivatives EISAI R&D MAN CO LTD (JP) 2009-03-18 CN disclosed
CN-100348599-C Novel fused imidazole derivatives EISAI CO LTD (JP) 2007-11-14 CN disclosed
CN-1931859-A New fused imidazole derivative EISAI CO LTD (JP) 2007-03-21 CN disclosed
US-20060100199-A1 Novel condensed imidazole derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2006-05-11 US disclosed
US-20060094722-A1 Combination drug EISAI CO., LTD. (JP) 2006-05-04 US disclosed
CN-1700911-A Combination drug EISAI CO LTD (JP) 2005-11-23 CN disclosed
CN-1675208-A Novel fused imidazole derivatives EISAI CO LTD (JP) 2005-09-28 CN disclosed
EP-1557165-A1 COMBINATION DRUG Eisai Co., Ltd. (JP) 2005-07-27 EP disclosed
US-20040116328-A1 Condensed imidazole derivatives EISAI CO., LTD. (JP) 2004-06-17 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 (2 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-20060100199-A1 Novel condensed imidazole derivatives H1-2, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, H1-4 MGLL 4797/4885GRM5 3089/4885TP53 946/4885
US-20060094722-A1 Combination drug DPP4, GLP1R, DPP7 MGLL 344/4885GRM5 1067/4885TP53 4702/4885

“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.