SCHEMBL4635545

SCHEMBL4635545

NC1C2CN(C(=O)c3cc(C(F)(F)F)ccc3F)CC12

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.45
SCN9A Q15858 2/20 0.44
SCN10A Q9Y5Y9 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPK1 P28482 1/20 0.43
ALOX5AP P20292 4/20 0.41
FEN1 P39748 4/20 0.41
MAPK8 P45983 2/20 0.40
MAPK10 P53779 2/20 0.40
MGLL Q99685 1/20 0.39
P2RX7 Q99572 1/20 0.39
CES2 O00748 1/20 0.39
CPS1 P31327 1/20 0.39
TSHR P16473 1/20 0.39
SLC6A9 P48067 1/20 0.38
SLC6A5 Q9Y345 1/20 0.38
LIPG Q9Y5X9 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
SCHEMBL4635406 0.79 MEN1 (0.58) EPHX2SCN9ASCN10AMEN1KMT2A
SCHEMBL4636539 0.78 TSHR (0.46) CPS1TSHR
SCHEMBL4788064 0.77 TSHR (0.53) MEN1KMT2AMGLLTSHR
SCHEMBL4788243 0.77 TSHR (0.53) MEN1KMT2AMGLLTSHR
SCHEMBL4635417 0.76 TAS1R3 (0.44) SCN9AMEN1KMT2AP2RX7
SCHEMBL3753656 0.76 EPHX2 (0.53) EPHX2MEN1KMT2AMAPK1ALOX5AP
SCHEMBL4898713 0.76 HCRTR1 (0.57) SCN9AP2RX7CPS1
SCHEMBL4636613 0.76 CES2 (0.46) CES2CPS1TSHR
SCHEMBL3753660 0.75 EPHX2 (0.52) EPHX2MEN1KMT2AMAPK1ALOX5AP
SCHEMBL4636549 0.74 CPS1 (0.53) MEN1KMT2AMAPK1CES2CPS1

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 EPHX2 1251/4885SCN9A 2466/4885SCN10A 2651/4885

“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.