SCHEMBL1397707

SCHEMBL1397707

NC12CC3CC1CC(c1ccccc1)(C3)C2

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 2/20 0.63
GRIN3B O60391 2/20 0.63
GRIN1 Q05586 2/20 0.63
GRIN2A Q12879 2/20 0.63
GRIN2B Q13224 2/20 0.63
GRIN2C Q14957 2/20 0.63
GRIN3A Q8TCU5 2/20 0.63
HSD11B1 P28845 1/20 0.42
ALDH1A1 P00352 4/20 0.41
PNMT P11086 1/20 0.39
LMNA P02545 4/20 0.38
PGR P06401 2/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
RAD52 P43351 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KDM1A O60341 2/20 0.36
MAOA P21397 2/20 0.36
MAOB P27338 2/20 0.36

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
SCHEMBL1397724 0.85 ALDH1A1 (0.58) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL1397714 0.81 GRIN2D (0.42) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL12402356 0.78 GRIN2D (0.39) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL1397817 0.78 NPC1 (0.61) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL1352813 0.78 GRIN2D (0.75) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL294311 0.77 GRIN2D (1.00) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL24274134 0.76 GRIN2D (0.54) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL24274129 0.74 GRIN2D (0.51) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL24138697 0.74 GRIN2D (0.51) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL19173347 0.74 GRIN2D (0.51) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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
EP-2004601-B1 NOVEL DIPEPTIDYL PEPTIDASE IV INHIBITORS AND PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM MATRIX LAB LTD (IN) 2011-03-02 EP claimed
US-20100160302-A1 NOVEL DIPEPTIDYL PEPTIDASE IV INHIBITORS AND PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM MYLAN LABORATORIES LIMITED (IN) 2010-06-24 US claimed
US-7985759-B2 Dipeptidyl peptidase IV inhibitors and processes for their preparation and pharmaceutical compositions containing them MATRIX LABORATORIES LTD. (IN) 2011-07-26 US disclosed
US-7985759-B2 Dipeptidyl peptidase IV inhibitors and processes for their preparation and pharmaceutical compositions containing them MATRIX LABORATORIES LTD. (IN) 2011-07-26 US disclosed
US-7985759-B2 Dipeptidyl peptidase IV inhibitors and processes for their preparation and pharmaceutical compositions containing them MATRIX LABORATORIES LTD. (IN) 2011-07-26 US disclosed
EP-2004601-B1 NOVEL DIPEPTIDYL PEPTIDASE IV INHIBITORS AND PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM MATRIX LAB LTD (IN) 2011-03-02 EP disclosed
US-20100160302-A1 NOVEL DIPEPTIDYL PEPTIDASE IV INHIBITORS AND PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM MYLAN LABORATORIES LIMITED (IN) 2010-06-24 US disclosed
US-20100160302-A1 NOVEL DIPEPTIDYL PEPTIDASE IV INHIBITORS AND PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM MYLAN LABORATORIES LIMITED (IN) 2010-06-24 US disclosed
US-20100160302-A1 NOVEL DIPEPTIDYL PEPTIDASE IV INHIBITORS AND PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM MYLAN LABORATORIES LIMITED (IN) 2010-06-24 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 (1 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-20100160302-A1 NOVEL DIPEPTIDYL PEPTIDASE IV INHIBITORS AND PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DPP4, DPP3, DPP7 GRIN2D 2976/4885GRIN3B 1940/4885GRIN1 2823/4885

“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.