SCHEMBL4635272

SCHEMBL4635272

N#Cc1c(F)cccc1N1CC2C(N)C2C1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.57
ALDH1A1 P00352 4/20 0.56
HPGD P15428 1/20 0.56
HSD17B10 Q99714 1/20 0.56
DPP4 P27487 3/20 0.47
DPP9 Q86TI2 3/20 0.47
DRD2 P14416 1/20 0.45
HTR2A P28223 1/20 0.45
HRH1 P35367 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.39
GAA P10253 1/20 0.37
GRM2 Q14416 2/20 0.36
DPP7 Q9UHL4 2/20 0.35
PREP P48147 1/20 0.35
MAPT P10636 1/20 0.35
P2RX7 Q99572 1/20 0.34
DPP8 Q6V1X1 1/20 0.34
MTOR P42345 1/20 0.34
RPTOR Q8N122 1/20 0.34
MLST8 Q9BVC4 1/20 0.34

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
SCHEMBL4636036 0.82 KDM4E (0.60) KDM4EALDH1A1HPGDHSD17B10DPP4
SCHEMBL4635182 0.81 DPP4 (0.50) KDM4EALDH1A1HPGDHSD17B10DPP4
SCHEMBL4886296 0.79 DPP4 (0.47) KDM4EALDH1A1HPGDHSD17B10DPP4
SCHEMBL4635266 0.76 DPP4 (0.47) KDM4EALDH1A1HPGDHSD17B10DPP4
SCHEMBL8569982 0.76 ALDH1A1 (0.73) KDM4EALDH1A1HPGDHSD17B10DRD2
SCHEMBL4635979 0.76 GRM1 (0.44) KDM4EALDH1A1DPP4DPP9DRD2
SCHEMBL16793536 0.74 KDM4E (0.71) KDM4EALDH1A1HPGDHSD17B10DRD2
SCHEMBL1154557 0.74 KDM4E (0.71) KDM4EALDH1A1HPGDHSD17B10DRD2
SCHEMBL4894756 0.73 DPP4 (0.45) KDM4EDPP4DPP9DPP7PREP
SCHEMBL4635925 0.73 DPP4 (0.47) DPP4DPP9DPP7PREPDPP8

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 227/4885ALDH1A1 891/4885HPGD 2646/4885

“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.