SCHEMBL4635509

SCHEMBL4635509

NC1C2CN(C(=O)c3ccc(F)c(F)c3)CC12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.55
MEN1 O00255 2/20 0.55
HSD11B1 P28845 1/20 0.51
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
GRM5 P41594 1/20 0.46
LMNA P02545 2/20 0.44
HSD17B10 Q99714 2/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.40
ABL1 P00519 1/20 0.40
BCR P11274 1/20 0.40
PDE2A O00408 2/20 0.39
MGLL Q99685 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
CPS1 P31327 1/20 0.39
PGR P06401 1/20 0.39
DPP4 P27487 1/20 0.38
KCNH2 Q12809 1/20 0.38

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
SCHEMBL4635554 0.87 HPGD (0.44) KMT2AMEN1HSD11B1HPGDPDE2A
SCHEMBL4635777 0.87 KMT2A (0.44) KMT2AMEN1HSD11B1HSD17B10ALDH1A1
SCHEMBL4635417 0.84 TAS1R3 (0.44) KMT2AMEN1HSD11B1PDE2AKCNH2
SCHEMBL4635078 0.84 KDM1A (0.48) KMT2AMEN1HSD11B1HPGD
SCHEMBL4635474 0.84 CES2 (0.42) KMT2AMEN1HSD11B1CES2CES1
SCHEMBL4635067 0.82 HSD11B1 (0.51) KMT2AMEN1HSD11B1ALDH1A1MGLL
SCHEMBL4635404 0.80 PLA2G7 (0.60) HSD11B1LMNAALDH1A1HPGDMGLL
SCHEMBL4635518 0.79 HSD17B10 (0.52) KMT2AMEN1HSD17B10ALDH1A1HPGD
SCHEMBL11685275 0.78 KMT2A (0.55) KMT2AMEN1HSD11B1CES2CES1
SCHEMBL4636581 0.78 HPGD (0.59) KMT2AMEN1HSD11B1HPGDPGR

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 KMT2A 1521/4885MEN1 1373/4885HSD11B1 251/4885

“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.