SCHEMBL4636690

SCHEMBL4636690

CNC(=O)c1ccc(N2CC3C(N)C3C2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.47
HDAC6 Q9UBN7 2/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
SMYD3 Q9H7B4 1/20 0.43
CA2 P00918 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
HTT P42858 1/20 0.42
PLK1 P53350 4/20 0.41
KDM1A O60341 4/20 0.40
MAOA P21397 4/20 0.40
MAOB P27338 4/20 0.40
KDM1B Q8NB78 4/20 0.40
RCOR1 Q9UKL0 4/20 0.40
PARP1 P09874 1/20 0.39
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 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
SCHEMBL4895486 0.82 NPC1 (0.51) DPP4KDM4EMEN1NPC1MAPT
SCHEMBL4635410 0.82 SMYD3 (0.64) DPP4SMYD3SMN1; SMN2HPGDTSHR
SCHEMBL4635452 0.80 CHRNA7 (0.45) DPP4SMYD3TSHRHTTPARP1
SCHEMBL26398689 0.75 HDAC6 (0.71) HDAC6SMYD3SMN1; SMN2HPGDTSHR
SCHEMBL4635913 0.75 HTT (0.54) DPP4CA2SMN1; SMN2HPGDTSHR
SCHEMBL10153966 0.72 MAPT (0.64) HDAC6HDAC2HDAC8SMN1; SMN2HPGD
SCHEMBL15451906 0.72 HDAC3 (0.66) HDAC8SMN1; SMN2MEN1NPC1LMNA
SCHEMBL532079 0.71 ALDH1A1 (0.59) HDAC6HDAC2HDAC8SMN1; SMN2TSHR
SCHEMBL250247 0.71 HDAC6 (0.80) HDAC6HDAC2HDAC8CA2SMN1; SMN2
SCHEMBL7961490 0.70 MAPT (0.54) HDAC6SMN1; SMN2MAPT

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 1/4885HDAC6 1324/4885HDAC2 668/4885

“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.