SCHEMBL2965637

SCHEMBL2965637

CC#CCn1c(N2CCN(C(=O)OC(C)(C)C)CC2)nc2nc(C#N)n(C)c(=O)c21

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.43
DPP4 P27487 16/20 0.41
GPR119 Q8TDV5 3/20 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
SCHEMBL2957112 0.87 DPP4 (0.43) KCNH2DPP4GPR119
SCHEMBL2965065 0.86 DPP4 (0.41) KCNH2DPP4GPR119
SCHEMBL2954832 0.83 KCNH2 (0.40) KCNH2DPP4GPR119
SCHEMBL2952444 0.83 DPP4 (0.42) KCNH2DPP4GPR119
SCHEMBL2956321 0.83 KCNH2 (0.41) KCNH2DPP4GPR119
SCHEMBL2961218 0.82 DPP4 (0.39) KCNH2DPP4GPR119
SCHEMBL2964606 0.82 DPP4 (0.39) KCNH2DPP4GPR119
SCHEMBL5275990 0.81 DPP4 (0.64) DPP4GPR119
SCHEMBL13200650 0.80 DPP4 (0.42) KCNH2DPP4GPR119
SCHEMBL2964042 0.80 DPP4 (0.37) KCNH2DPP4GPR119

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
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-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 KCNH2 447/4885DPP4 2329/4885GPR119 753/4885
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 KCNH2 77/4885DPP4 4422/4885GPR119 2083/4885
US-20060094722-A1 Combination drug DPP4, GLP1R, DPP7 KCNH2 2849/4885DPP4 1/4885GPR119 14/4885
US-20060063787-A1 Condensed imidazole derivatives DPP4, HDAC1, DPP7 KCNH2 106/4885DPP4 1/4885GPR119 173/4885
US-20090018331-A1 CONDENSED IMIDAZOLE DERIVATIVES DPP4, HDAC1, DPP7 KCNH2 106/4885DPP4 1/4885GPR119 173/4885

“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.