SCHEMBL2917607

SCHEMBL2917607

CN(C)C(=O)C1CNCCCN1C

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.36
GLI1 P08151 1/20 0.35
SIGMAR1 Q99720 1/20 0.33
MMP1 P03956 2/20 0.32
MMP9 P14780 2/20 0.32
MMP13 P45452 2/20 0.32
SLC6A1 P30531 2/20 0.32
SLC6A11 P48066 1/20 0.32
TSHR P16473 1/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
SLC6A13 Q9NSD5 1/20 0.32
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
ATM Q13315 1/20 0.31
CYP2D6 P10635 1/20 0.31
BCHE P06276 1/20 0.31

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
SCHEMBL1811181 0.89 DPP4 (0.34) DPP4GLI1TSHR
SCHEMBL28888115 0.82 SLC6A1 (0.35) MMP1MMP9MMP13SLC6A1SLC6A11
SCHEMBL28675920 0.80 SLC6A1 (0.34) MMP1MMP9MMP13SLC6A1SLC6A11
SCHEMBL2911343 0.80 TSHR (0.42) MMP1MMP9MMP13SLC6A1SLC6A11
SCHEMBL2920042 0.79 KDM4E (0.44) MMP1MMP9MMP13SLC6A1SLC6A11
SCHEMBL28758669 0.76 MMP1 (0.40) MMP1MMP9MMP13SMN1; SMN2
SCHEMBL2920031 0.76 MMP1 (0.37) MMP1MMP9MMP13SLC6A1SLC6A11
SCHEMBL15386556 0.76 CYP3A4 (0.41) DPP4GLI1SMN1; SMN2KMT2ACYP2D6
SCHEMBL3930922 0.76 CYP3A4 (0.41) DPP4GLI1SMN1; SMN2KMT2ACYP2D6
SCHEMBL8260203 0.76 CYP3A4 (0.41) DPP4GLI1SMN1; SMN2KMT2ACYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1591443-B1 PYRAZOLE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2010-08-25 EP disclosed
US-7622471-B2 Pyrazole derivatives having a pyridazine and pyridine functionality DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-11-24 US disclosed
US-20080125409-A1 1,5-Diheterocycle-1H-Triazole Derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-05-29 US disclosed
US-20080064682-A1 Pyrazole Derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-03-13 US disclosed
US-20070254881-A1 Pyrazole Derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-11-01 US disclosed
EP-1803719-A1 1,5-DIHETEROCYCLE-1H-TRIAZOLE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-07-04 EP disclosed
EP-1785418-A1 PYRAZOLE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-05-16 EP disclosed
EP-1762568-A1 PYRAZOLE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-03-14 EP disclosed
US-20060189591-A1 Five-membered heterocyclic derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-08-24 US disclosed
US-20060128685-A1 Pyrazole derivative DAIICHI PHARMACEUTICAL CO., LTD., (JP) 2006-06-15 US disclosed
CN-1759110-A Pyrazole derivatives DAIICHI SEIYAKU CO (JP) 2006-04-12 CN disclosed
EP-1621537-A1 FIVE-MEMBERED HETEROCYCLIC DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-02-01 EP disclosed
EP-1591443-A1 PYRAZOLE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-11-02 EP 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-20080125409-A1 1,5-Diheterocycle-1H-Triazole Derivative PTGS1, PTGER1, TBXA2R DPP4 3386/4885GLI1 477/4885SIGMAR1 1015/4885
US-20070254881-A1 Pyrazole Derivative PTGER1, PTGS1, PTGER2 DPP4 3499/4885GLI1 1519/4885SIGMAR1 743/4885
US-20060128685-A1 Pyrazole derivative PTGS1, PTGS2, PTGER1 DPP4 440/4885GLI1 1146/4885SIGMAR1 1082/4885
US-20080064682-A1 Pyrazole Derivatives NAT1, AR, CBR3 DPP4 2303/4885GLI1 2064/4885SIGMAR1 42/4885
US-20060189591-A1 Five-membered heterocyclic derivative PTGS1, PTGIS, PTGS2 DPP4 1243/4885GLI1 690/4885SIGMAR1 3899/4885

“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.