SCHEMBL2957435

SCHEMBL2957435

CC#CCn1cnc2c1c(=O)n(C)c(=O)n2COC(=O)C(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 10/20 0.48
PDE4B Q07343 10/20 0.48
PDE4C Q08493 10/20 0.48
PDE4D Q08499 10/20 0.48
ADORA2B P29275 9/20 0.48
ADORA2A P29274 6/20 0.48
SMN1; SMN2 Q16637 1/20 0.45
TRPA1 O75762 1/20 0.44

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
SCHEMBL5771868 0.92 TRPA1 (0.41) PDE4APDE4BPDE4CPDE4DADORA2B
SCHEMBL5790131 0.88 TRPA1 (0.38) PDE4APDE4BPDE4CPDE4DADORA2B
SCHEMBL13217673 0.86 PDE4A (0.62) PDE4APDE4BPDE4CPDE4DADORA2B
SCHEMBL6383651 0.85 KMT2A (0.37) PDE4APDE4BPDE4CPDE4DADORA2B
SCHEMBL6383655 0.84 PDE4A (0.35) PDE4APDE4BPDE4CPDE4DADORA2B
SCHEMBL6380593 0.83 PDE4A (0.48) PDE4APDE4BPDE4CPDE4DADORA2B
SCHEMBL2967449 0.82 PDE1A (0.62) ADORA2BSMN1; SMN2
SCHEMBL13652738 0.79 PDE4A (0.47) PDE4APDE4BPDE4CPDE4DADORA2B
SCHEMBL11380715 0.79 PDE1A (0.57) PDE4APDE4BPDE4CPDE4DADORA2B
SCHEMBL11375296 0.79 ADORA2B (0.62) ADORA2BSMN1; SMN2

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 11 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-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-1557165-A1 COMBINATION DRUG Eisai Co., Ltd. (JP) 2005-07-27 EP 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 PDE4A 3211/4885PDE4B 3705/4885PDE4C 4007/4885
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 PDE4A 4058/4885PDE4B 3679/4885PDE4C 4206/4885
US-20060094722-A1 Combination drug DPP4, GLP1R, DPP7 PDE4A 39/4885PDE4B 38/4885PDE4C 68/4885
US-20060063787-A1 Condensed imidazole derivatives DPP4, HDAC1, DPP7 PDE4A 1635/4885PDE4B 996/4885PDE4C 2472/4885
US-20090018331-A1 CONDENSED IMIDAZOLE DERIVATIVES DPP4, HDAC1, DPP7 PDE4A 1635/4885PDE4B 996/4885PDE4C 2472/4885

“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.