SCHEMBL2961094

SCHEMBL2961094

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

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.45
NAMPT P43490 1/20 0.44
CKS1B P61024 2/20 0.42
SKP1 P63208 2/20 0.42
SKP2 Q13309 2/20 0.42
SLC2A1 P11166 1/20 0.42
MGLL Q99685 4/20 0.42
TLR9 Q9NR96 4/20 0.41
TLR7 Q9NYK1 2/20 0.41
GPR119 Q8TDV5 2/20 0.41
PRMT5 O14744 3/20 0.40
GBA1 P04062 1/20 0.39
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
OGFRL1 Q5TC84 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
SCHEMBL5776466 0.89 MGLL (0.45) MGLL
SCHEMBL2964266 0.81 ACHE (0.43) ACHECKS1BSKP1SKP2SLC2A1
SCHEMBL2962388 0.79 NAMPT (0.46) ACHENAMPTCKS1BSKP1SKP2
SCHEMBL2960778 0.78 DPP4 (0.51) ACHECKS1BSKP1SKP2TLR9
SCHEMBL6409175 0.75 ACHE (0.47) ACHENAMPTCKS1BSKP1SKP2
SCHEMBL20897769 0.73 HTR3A (0.62) MGLL
SCHEMBL13217691 0.72 ACHE (0.49) ACHENAMPTCKS1BSKP1SKP2
SCHEMBL5002349 0.72 CHRM2 (0.53) ACHEGPR119
SCHEMBL20767890 0.71 NAMPT (0.64) ACHENAMPTCKS1BSKP1SKP2
SCHEMBL13217682 0.70 ACHE (0.45) ACHENAMPTCKS1BSKP1SKP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7772226-B2 Condensed imidazole derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-08-10 US disclosed
US-7772226-B2 Condensed imidazole derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-08-10 US disclosed
US-7772226-B2 Condensed imidazole derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-08-10 US disclosed
US-20090018331-A1 CONDENSED IMIDAZOLE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-01-15 US disclosed
US-20090018331-A1 CONDENSED IMIDAZOLE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-01-15 US disclosed
US-20090018331-A1 CONDENSED IMIDAZOLE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-01-15 US disclosed
US-20070219178-A1 PREVENTIVE OR THERAPEUTIC AGENTS FOR MULTIPLE SCLEROSIS EISAI CO., LTD. (JP) 2007-09-20 US 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
US-20060063787-A1 Condensed imidazole derivatives EISAI CO., LTD. (JP) 2006-03-23 US disclosed
EP-1514552-A1 NOVEL FUSED IMIDAZOLE DERIVATIVE Eisai Co., Ltd. (JP) 2005-03-16 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 (5 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-20070219178-A1 PREVENTIVE OR THERAPEUTIC AGENTS FOR MULTIPLE SCLEROSIS MYT1, AQP4, AQP1 ACHE 448/4885NAMPT 2426/4885CKS1B 2469/4885
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 ACHE 3509/4885NAMPT 3411/4885CKS1B 144/4885
US-20060094722-A1 Combination drug DPP4, GLP1R, DPP7 ACHE 3109/4885NAMPT 459/4885CKS1B 3049/4885
US-20060063787-A1 Condensed imidazole derivatives DPP4, HDAC1, DPP7 ACHE 832/4885NAMPT 2551/4885CKS1B 103/4885
US-20090018331-A1 CONDENSED IMIDAZOLE DERIVATIVES DPP4, HDAC1, DPP7 ACHE 832/4885NAMPT 2551/4885CKS1B 103/4885

“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.