SCHEMBL4635407

SCHEMBL4635407

NC1C2CN(C(=O)c3ccccc3C(F)(F)F)CC12

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
HTR2B P41595 1/20 0.52
MAPK14 Q16539 1/20 0.52
MGLL Q99685 2/20 0.49
CCR5 P51681 1/20 0.48
SCD O00767 3/20 0.47
HSD11B1 P28845 1/20 0.46
CYP3A4 P08684 1/20 0.45
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.44
RBP4 P02753 1/20 0.43
CHRM1 P11229 1/20 0.42

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
SCHEMBL4636016 0.87 P2RX7 (0.50) CYP2C9CYP2C19HTR2BMAPK14MGLL
SCHEMBL4898713 0.82 HCRTR1 (0.57) SCD
SCHEMBL4788243 0.80 TSHR (0.53) CYP2C9CYP2C19MAPK14MGLLCCR5
SCHEMBL4788064 0.80 TSHR (0.53) CYP2C9CYP2C19MAPK14MGLLCCR5
SCHEMBL4238339 0.80 CYP2C9 (0.60) CYP2C9CYP2C19HTR2BMAPK14MGLL
SCHEMBL3661780 0.80 CYP2C9 (0.60) CYP2C9CYP2C19HTR2BMAPK14MGLL
SCHEMBL4618974 0.79 CYP2C9 (0.66) CYP2C9CYP2C19HTR2BMAPK14MGLL
SCHEMBL10304326 0.75 CYP2C9 (0.60) CYP2C9CYP2C19HTR2BMAPK14MGLL
SCHEMBL4262448 0.74 CYP2C9 (0.63) CYP2C9CYP2C19HTR2BMAPK14MGLL
SCHEMBL2006284 0.74 CYP2C9 (0.59) CYP2C9CYP2C19HTR2BMAPK14MGLL

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 CYP2C9 1777/4885CYP2C19 2165/4885HTR2B 2223/4885

“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.