SCHEMBL3394187

SCHEMBL3394187

CCc1cnc(Cl)[nH]c1=O

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 5/20 0.41
GRIN3B O60391 5/20 0.41
GRIN1 Q05586 5/20 0.41
GRIN2A Q12879 5/20 0.41
GRIN2B Q13224 5/20 0.41
GRIN2C Q14957 5/20 0.41
GRIN3A Q8TCU5 5/20 0.41
S100A9 P06702 1/20 0.39
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
NOS2 P35228 1/20 0.34
ALDH1A1 P00352 1/20 0.34
DAO P14920 1/20 0.34
TYMP P19971 2/20 0.33
KDM5A P29375 1/20 0.33
GCK P35557 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CTRC Q99895 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
SCHEMBL3266412 0.77 NPSR1 (0.36) S100A9ALDH1A1
SCHEMBL31128564 0.77 TNKS2 (0.42) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL25598726 0.77 HRH1 (0.41) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL13039021 0.75 NOS1 (0.42) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL26018563 0.75 GRIN2D (0.39) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL18791425 0.74
SCHEMBL11932719 0.73 SCN2A (0.47) ALDH1A1GCK
SCHEMBL3392370 0.73
SCHEMBL23987122 0.72 HCAR2 (0.37) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL1946300 0.70

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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1911754-A1 Dipeptidyl peptidase inhibitors Takeda Pharmaceutical Company Limited (JP) 2008-04-16 EP claimed
CN-1867560-A 4-pyrimidone derivatives and their use as peptidylpeptidase inhibitors TAKEDA PHARMACEUTICAL (JP) 2006-11-22 CN claimed
US-20050065148-A1 Dipeptidyl peptidase inhibitors SYRRX, INC. 2005-03-24 US claimed
WO-2005016911-A1 4-PYRIMIDONE DERIVATIVES AND THEIR USE AS PEPTIDYL PEPTIDASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-02-24 WO claimed
EP-1506967-A1 Dipeptidyl peptidase inhibitors Syrrx, Inc. (US) 2005-02-16 EP claimed
EP-1911754-B1 Dipeptidyl peptidase inhibitors TAKEDA PHARMACEUTICAL (JP) 2013-10-09 EP disclosed
EP-1911754-B1 Dipeptidyl peptidase inhibitors TAKEDA PHARMACEUTICAL (JP) 2013-10-09 EP disclosed
US-7790736-B2 Dipeptidyl peptidase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-07 US disclosed
US-7790736-B2 Dipeptidyl peptidase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-07 US disclosed
US-7790736-B2 Dipeptidyl peptidase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-07 US disclosed
US-7723344-B2 Dipeptidyl peptidase inhibitors TAKEDA SAN DIEGO, INC. (US) 2010-05-25 US disclosed
US-7723344-B2 Dipeptidyl peptidase inhibitors TAKEDA SAN DIEGO, INC. (US) 2010-05-25 US disclosed
US-20050070535-A1 Dipeptidyl peptidase inhibitors SYRRX, INC. 2005-03-31 US disclosed
US-20050070531-A1 Dipeptidyl peptidase inhibitors SYRRX, INC. 2005-03-31 US disclosed
US-20050070706-A1 Dipeptidyl peptidase inhibitors SYRRX, INC. 2005-03-31 US disclosed
US-20050070530-A1 Dipeptidyl peptidase inhibitors SYRRX, INC. 2005-03-31 US disclosed
US-20050065148-A1 Dipeptidyl peptidase inhibitors SYRRX, INC. 2005-03-24 US disclosed
WO-2005016911-A1 4-PYRIMIDONE DERIVATIVES AND THEIR USE AS PEPTIDYL PEPTIDASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-02-24 WO disclosed
WO-2005016911-A1 4-PYRIMIDONE DERIVATIVES AND THEIR USE AS PEPTIDYL PEPTIDASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-02-24 WO disclosed
EP-1506967-A1 Dipeptidyl peptidase inhibitors Syrrx, Inc. (US) 2005-02-16 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-20050070535-A1 Dipeptidyl peptidase inhibitors DPP4, DPP3, DPP7 GRIN2D 2423/4885GRIN3B 1450/4885GRIN1 2650/4885
US-20050070531-A1 Dipeptidyl peptidase inhibitors DPP4, DPP3, DPP7 GRIN2D 2423/4885GRIN3B 1450/4885GRIN1 2650/4885
US-20050065148-A1 Dipeptidyl peptidase inhibitors DPP4, DPP3, DPP7 GRIN2D 2423/4885GRIN3B 1450/4885GRIN1 2650/4885
US-20050070706-A1 Dipeptidyl peptidase inhibitors DPP4, DPP3, DPP7 GRIN2D 2423/4885GRIN3B 1450/4885GRIN1 2650/4885
US-20050070530-A1 Dipeptidyl peptidase inhibitors DPP4, DPP3, DPP7 GRIN2D 2423/4885GRIN3B 1450/4885GRIN1 2650/4885

“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.