SCHEMBL4635503

SCHEMBL4635503

N#Cc1cccnc1N1CC2C(N)C2C1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.54
RECQL P46063 1/20 0.54
GRM1 Q13255 2/20 0.49
ALDH1A1 P00352 2/20 0.48
MAPT P10636 1/20 0.48
DPP4 P27487 1/20 0.47
PREP P48147 1/20 0.47
DPP8 Q6V1X1 1/20 0.47
DPP9 Q86TI2 1/20 0.47
DPP7 Q9UHL4 1/20 0.47
DRD2 P14416 5/20 0.46
HTR2A P28223 4/20 0.46
HSD11B1 P28845 1/20 0.44
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
DRD4 P21917 2/20 0.41
GRM5 P41594 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL3290456 0.83 KDM4E (0.58) KDM4ERECQLGRM1ALDH1A1MAPT
SCHEMBL30556695 0.81 GRM1 (0.60) KDM4ERECQLGRM1ALDH1A1MAPT
SCHEMBL3288708 0.81 KDM4E (0.51) KDM4ERECQLGRM1ALDH1A1MAPT
SCHEMBL5615322 0.81 KDM4E (0.64) KDM4ERECQLGRM1ALDH1A1MAPT
SCHEMBL1514427 0.81 KDM4E (0.64) KDM4ERECQLGRM1ALDH1A1MAPT
Hydrochloric Acid SCHEMBL1514615 0.79 KDM4E (0.62) KDM4ERECQLGRM1ALDH1A1MAPT
SCHEMBL6697752 0.79 KDM4E (0.69) KDM4ERECQLALDH1A1MAPTDRD2
SCHEMBL3287570 0.78 KDM4E (0.50) KDM4ERECQLGRM1ALDH1A1MAPT
SCHEMBL30607601 0.78 GRM1 (0.53) KDM4ERECQLGRM1ALDH1A1MAPT
Hydrochloric Acid SCHEMBL5223467 0.78 KDM4E (0.67) KDM4ERECQLALDH1A1MAPTDRD2

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 KDM4E 227/4885RECQL 3947/4885GRM1 2664/4885

“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.