SCHEMBL4635555

SCHEMBL4635555

NC1C2CN(c3ccccn3)CC12

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.49
GRIN2B Q13224 5/20 0.49
PLD1 Q13393 1/20 0.49
GRIN2D O15399 1/20 0.45
GRIN3B O60391 1/20 0.45
GRIN1 Q05586 1/20 0.45
GRIN2A Q12879 1/20 0.45
GRIN2C Q14957 1/20 0.45
GRIN3A Q8TCU5 1/20 0.45
GRM1 Q13255 5/20 0.44
KDM4E B2RXH2 1/20 0.44
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
GRM5 P41594 1/20 0.43
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
HSD11B1 P28845 1/20 0.42

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
SCHEMBL16059501 0.85 DPP4 (0.58) DPP4GRIN2BPLD1GRIN2DGRIN3B
SCHEMBL16059500 0.85 DPP4 (0.58) DPP4GRIN2BPLD1GRIN2DGRIN3B
SCHEMBL2002068 0.85 PLD1 (0.52) DPP4GRIN2BPLD1GRIN2DGRIN3B
SCHEMBL30599887 0.85 PLD1 (0.52) DPP4GRIN2BPLD1GRIN2DGRIN3B
SCHEMBL3199157 0.79 GRIN2B (0.47) GRIN2BPLD1GRIN2DGRIN3BGRIN1
SCHEMBL23875353 0.77 PLD1 (0.52) GRIN2BPLD1GRIN2DGRIN3BGRIN1
SCHEMBL32690594 0.77 GRM1 (0.57) GRIN2BPLD1GRIN2DGRIN3BGRIN1
SCHEMBL2294733 0.77 GRIN2B (0.55) GRIN2BPLD1GRIN2DGRIN3BGRIN1
SCHEMBL30937159 0.77 GRIN2B (0.55) GRIN2BPLD1GRIN2DGRIN3BGRIN1
SCHEMBL30556650 0.77 GRIN2B (0.59) GRIN2BPLD1GRIN2DGRIN3BGRIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080300251-A1 Derivatives of 3-Azabicyclo[3.1.0] Hexane as Dipeptidyl Peptidase-IV Inhibitors RANBAXY LABORATORIES LIMITED (IN) 2008-12-04 US disclosed
EP-1931633-A2 DERIVATIVES OF 3-AZABICYCLO[3.1.0]HEXANE AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS Ranbaxy Laboratories Limited (IN) 2008-06-18 EP disclosed
WO-2007029086-A2 DERIVATIVES OF 3-AZABICYCLO[3.1.0]HEXANE AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2007-03-15 WO 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-20080300251-A1 Derivatives of 3-Azabicyclo[3.1.0] Hexane as Dipeptidyl Peptidase-IV Inhibitors DPP4, DPP3, DPP8 DPP4 1/4885GRIN2B 1589/4885PLD1 2300/4885

“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.