SCHEMBL4635406

SCHEMBL4635406

NC1C2CN(C(=O)c3ccc(C(F)(F)F)cc3)CC12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.58
HPGD P15428 1/20 0.58
TSHR P16473 1/20 0.58
KMT2A Q03164 1/20 0.58
GAA P10253 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
HSD11B1 P28845 1/20 0.50
MGLL Q99685 1/20 0.49
TEAD1 P28347 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
EPHX2 P34913 3/20 0.46
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
SCN9A Q15858 1/20 0.45
SCN10A Q9Y5Y9 1/20 0.45
SLC6A7 Q99884 1/20 0.45
KCNH2 Q12809 1/20 0.45
MLYCD O95822 2/20 0.44
GPR183 P32249 1/20 0.43
KDM1A O60341 1/20 0.43

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
SCHEMBL4894757 0.84 MEN1 (0.58) MEN1HPGDTSHRKMT2A
SCHEMBL4635067 0.82 HSD11B1 (0.51) MEN1KMT2AGAAHSD11B1MGLL
SCHEMBL4635422 0.81 HSD11B1 (0.53) HSD11B1MGLLEPHX2
SCHEMBL5391552 0.79 GAA (0.66) MEN1HPGDTSHRKMT2AGAA
SCHEMBL4635076 0.79 HSD11B1 (0.46) MEN1HPGDKMT2AGAAHSD11B1
SCHEMBL4636574 0.79 PKM (0.56) MEN1HPGDKMT2AGAAHSD11B1
SCHEMBL4635518 0.79 HSD17B10 (0.52) MEN1HPGDKMT2AMGLL
SCHEMBL4635545 0.79 EPHX2 (0.45) MEN1TSHRKMT2AMGLLEPHX2
SCHEMBL4635078 0.79 KDM1A (0.48) MEN1HPGDKMT2AGAATDP1
SCHEMBL4635417 0.79 TAS1R3 (0.44) MEN1KMT2AHSD11B1SCN9AKCNH2

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 MEN1 1373/4885HPGD 2646/4885TSHR 3221/4885

“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.