SCHEMBL4636613

SCHEMBL4636613

NC1C2CN(C(=O)c3ccc(F)c(F)c3F)CC12

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.46
CES1 P23141 2/20 0.46
HPGD P15428 3/20 0.43
USP2 O75604 1/20 0.42
MAP2K2 P36507 2/20 0.41
MAP2K1 Q02750 2/20 0.41
HCRTR1 O43613 2/20 0.39
HCRTR2 O43614 2/20 0.39
CPS1 P31327 6/20 0.37
TACR3 P29371 1/20 0.37
TSHR P16473 1/20 0.35
HRH4 Q9H3N8 1/20 0.34

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
SCHEMBL4635103 0.87 P2RX7 (0.45) HPGDUSP2MAP2K2MAP2K1CPS1
SCHEMBL19934868 0.82 MAP2K1 (0.55) CES2CES1HPGDUSP2MAP2K2
SCHEMBL4636549 0.80 CPS1 (0.53) CES2CES1CPS1
SCHEMBL4788064 0.79 TSHR (0.53) HCRTR1HCRTR2TSHR
SCHEMBL4788243 0.79 TSHR (0.53) HCRTR1HCRTR2TSHR
SCHEMBL4636532 0.78 P2RX7 (0.46) HPGDUSP2HCRTR1HCRTR2TSHR
SCHEMBL4636539 0.78 TSHR (0.46) HPGDHCRTR1HCRTR2CPS1TSHR
SCHEMBL4635545 0.76 EPHX2 (0.45) CES2CPS1TSHR
SCHEMBL4636016 0.76 P2RX7 (0.50) HPGD
SCHEMBL4635509 0.75 KMT2A (0.55) CES2CES1HPGDCPS1

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 46/4885HPGD 2646/4885

“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.