SCHEMBL3911554

SCHEMBL3911554

O=C(ON[C@@H]1CC[C@H](Cn2nc3ccccc3n2)C1)C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 3/20 0.35
BRD4 O60885 1/20 0.34
ORAI1 Q96D31 1/20 0.34
GRIN2B Q13224 5/20 0.32
DRD2 P14416 3/20 0.32
HTR4 Q13639 1/20 0.32
KDM1A O60341 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
GRIN1 Q05586 1/20 0.32
KCNH2 Q12809 1/20 0.32
GPR6 P46095 3/20 0.31
HTR1A P08908 1/20 0.31
HTR2A P28223 1/20 0.31
DRD3 P35462 1/20 0.31
DHFR P00374 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
SCHEMBL3908404 0.83 LMNA (0.43) CYP2C9CYP2C19
SCHEMBL3906369 0.78 MEN1 (0.42)
SCHEMBL3908850 0.78 NOTUM (0.34) CRHR1DRD2
SCHEMBL3897965 0.77 DRD2 (0.49) DRD2HTR2ADRD3
SCHEMBL3905333 0.75 DRD2 (0.31) DRD2HTR2ADRD3
SCHEMBL3911913 0.75 CCR10 (0.33)
SCHEMBL3899711 0.75 CCR10 (0.33)
SCHEMBL3911721 0.74 RORC (0.33)
SCHEMBL3897928 0.74 RORC (0.33)
SCHEMBL3908771 0.71 MELK (0.35) DRD2HTR2ADRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1799639-B1 NOVEL DIPEPTIDYL PEPTIDASE IV INHIBITORS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND PROCESS FOR THEIR PREPARATION GLENMARK PHARMACEUTICALS SA (CH) 2013-09-04 EP disclosed
US-7538128-B2 Dipeptidyl peptidase IV inhibitors, process for their preparation and compositions containing them GLENMARK PHARMACEUTICALS S.A. (CH) 2009-05-26 US disclosed
US-20070238728-A1 NOVEL DIPEPTIDYL PEPTIDASE IV INHIBITORS, PROCESS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM GLENMARK PHARMACEUTICALS S.A. (CH) 2007-10-11 US disclosed
US-7205323-B2 Dipeptidyl peptidase IV inhibitors pharmaceutical compositions containing them, and process for their preparation GLENMARK PHARMACEUTICALS S.A. (CH) 2007-04-17 US disclosed
US-20060142585-A1 Novel dipeptidyl peptidase IV inhibitors pharmaceutical compositions containing them, and process for their preparation GLENMARK PHARMACETUCALS, S.A. 2006-06-29 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 (2 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-20060142585-A1 Novel dipeptidyl peptidase IV inhibitors pharmaceutical compositions containing them, and process for their preparation DPP4, DPP3, DPP7 CRHR1 1878/4885BRD4 2550/4885ORAI1 4362/4885
US-20070238728-A1 NOVEL DIPEPTIDYL PEPTIDASE IV INHIBITORS, PROCESS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM DPP4, DPP3, DPP7 CRHR1 1806/4885BRD4 1625/4885ORAI1 4496/4885

“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.