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SCHEMBL2964910

SCHEMBL2964910

CN(C)c1nn(C)c(=O)c2nc(N3CCN(C(=O)OC(C)(C)C)CC3)n(Cc3ccccc3)c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 1/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ NR2F2 P24468 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ TLR9 Q9NR96 2/20 0.42
▸ TLR7 Q9NYK1 2/20 0.42
▸ P2RX7 Q99572 1/20 0.41
▸ CKS1B P61024 1/20 0.40
▸ SKP1 P63208 1/20 0.40
▸ SKP2 Q13309 1/20 0.40
▸ KCNH2 Q12809 1/20 0.40
▸ SCD O00767 1/20 0.39
▸ SCD5 Q86SK9 1/20 0.39
▸ SLC2A1 P11166 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ PIK3CD O00329 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
SCHEMBL6409813 0.88 ALDH1A1 (0.42) SMN1; SMN2LMNAHTTALDH1A1ALOX15
SCHEMBL5719159 0.74 POLB (0.67) NPC1HTTALDH1A1ALOX15TSHR
SCHEMBL5773728 0.74 MEN1 (0.50) ACHETLR9TLR7P2RX7CKS1B
SCHEMBL2962148 0.73 ACHE (0.46) ACHELMNAHTTTLR9TLR7
SCHEMBL2962803 0.73 ACHE (0.54) ACHETLR9TLR7CKS1BSKP1
SCHEMBL5719356 0.72 ALDH1A1 (0.55) SMN1; SMN2LMNAHTTALDH1A1ALOX15
SCHEMBL2964266 0.72 ACHE (0.43) ACHELMNAHTTTLR9TLR7
SCHEMBL5719592 0.72 ALDH1A1 (0.76) SMN1; SMN2LMNAHTTALDH1A1ALOX15
SCHEMBL2957448 0.71 KCNH2 (0.45) ACHESMN1; SMN2NPC1LMNANR2F2
SCHEMBL13117125 0.70 GPR119 (0.49) ACHELMNATLR9TLR7CKS1B

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 6 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-20090018331-A1 CONDENSED IMIDAZOLE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-01-15 — — US disclosed
US-20060100199-A1 Novel condensed imidazole derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2006-05-11 — — 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 (3 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 ACHE 3509/4885SMN1; SMN2 4223/4885NPC1 520/4885
US-20060063787-A1 Condensed imidazole derivatives DPP4, HDAC1, DPP7 ACHE 832/4885SMN1; SMN2 3923/4885NPC1 182/4885
US-20090018331-A1 CONDENSED IMIDAZOLE DERIVATIVES DPP4, HDAC1, DPP7 ACHE 832/4885SMN1; SMN2 3923/4885NPC1 182/4885

“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.