SCHEMBL4635474

SCHEMBL4635474

NC1C2CN(C(=O)c3cc(F)c(F)c(F)c3)CC12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.42
CES1 P23141 2/20 0.42
GLRA1 P23415 1/20 0.39
ALDH1A1 P00352 3/20 0.37
NPSR1 Q6W5P4 1/20 0.37
SERPINE1 P05121 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PDE2A O00408 1/20 0.35
KDM4E B2RXH2 1/20 0.35
HSD11B1 P28845 1/20 0.35
TACR3 P29371 1/20 0.34
HSD17B10 Q99714 1/20 0.34
SCN9A Q15858 3/20 0.34
SCN10A Q9Y5Y9 2/20 0.33
TSHR P16473 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
HPGD P15428 1/20 0.33
CPS1 P31327 1/20 0.33

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
SCHEMBL4635509 0.84 KMT2A (0.55) CES2CES1ALDH1A1MEN1KMT2A
SCHEMBL4635078 0.78 KDM1A (0.48) MEN1KMT2AHSD11B1SCN9ASCN10A
SCHEMBL4635067 0.78 HSD11B1 (0.51) ALDH1A1MEN1KMT2AKDM4EHSD11B1
SCHEMBL4635777 0.77 KMT2A (0.44) ALDH1A1NPSR1MEN1KMT2APDE2A
SCHEMBL4635554 0.77 HPGD (0.44) MEN1KMT2APDE2AHSD11B1TACR3
SCHEMBL4636539 0.77 TSHR (0.46) TSHRHPGDCPS1
SCHEMBL4635404 0.76 PLA2G7 (0.60) ALDH1A1HSD11B1HPGD
SCHEMBL4635417 0.75 TAS1R3 (0.44) MEN1KMT2APDE2AHSD11B1SCN9A
SCHEMBL4636613 0.74 CES2 (0.46) CES2CES1TACR3TSHRHPGD
SCHEMBL4635455 0.73 LMNA (0.57) CES2CES1ALDH1A1KMT2AKDM4E

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 CES2 1090/4885CES1 46/4885GLRA1 3858/4885

“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.