SCHEMBL2964155

SCHEMBL2964155

CC#CCN1c2c(nc(CCc3ccccc3)n(C)c2=O)N(OC(=O)C(F)(F)F)C1N1CCNCC1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.38
DPP4 P27487 7/20 0.36
USP2 O75604 3/20 0.32
ALDH1A1 P00352 3/20 0.32
CYP1A2 P05177 3/20 0.32
CYP3A4 P08684 3/20 0.32
CYP2C9 P11712 3/20 0.32
HSD17B10 Q99714 3/20 0.32
HPGD P15428 2/20 0.32
CYP2C19 P33261 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HIF1A Q16665 1/20 0.32
FAP Q12884 3/20 0.32
CASP1 P29466 1/20 0.31
CASP7 P55210 1/20 0.31
MRE11 P49959 1/20 0.31
CYP2D6 P10635 1/20 0.30
DPP9 Q86TI2 1/20 0.30

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
SCHEMBL2962138 0.93 DPP4 (0.37) HTR2CDPP4FAPDPP9
SCHEMBL2968285 0.89 MAOB (0.34) DPP4FAP
SCHEMBL2952804 0.89 DPP4 (0.35) DPP4USP2ALDH1A1CYP3A4HSD17B10
SCHEMBL2962543 0.88 DPP4 (0.31) DPP4
SCHEMBL2964934 0.88 DPP4 (0.35) DPP4FAPDPP9
SCHEMBL2961124 0.87 DPP4 (0.36) DPP4ALDH1A1HIF1AFAP
SCHEMBL2963923 0.86 DPP4 (0.31) DPP4
SCHEMBL2965131 0.86 DPP4 (0.34) DPP4FAPDPP9
SCHEMBL2966874 0.85 DPP4 (0.33) DPP4FAPDPP9
SCHEMBL2958725 0.85 DPP4 (0.33) DPP4FAPDPP9

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 HTR2C 805/4885DPP4 4422/4885USP2 1695/4885
US-20060063787-A1 Condensed imidazole derivatives DPP4, HDAC1, DPP7 HTR2C 1288/4885DPP4 1/4885USP2 2053/4885
US-20090018331-A1 CONDENSED IMIDAZOLE DERIVATIVES DPP4, HDAC1, DPP7 HTR2C 1288/4885DPP4 1/4885USP2 2053/4885

“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.