SCHEMBL4635540

SCHEMBL4635540

NC1C2CN(c3ncccc3[N+](=O)[O-])CC12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.62
CYP2C9 P11712 2/20 0.62
CYP2C19 P33261 1/20 0.62
LMNA P02545 2/20 0.58
ALDH1A1 P00352 5/20 0.55
MAPT P10636 4/20 0.53
MAPK1 P28482 1/20 0.53
L3MBTL1 Q9Y468 2/20 0.52
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
POLB P06746 2/20 0.49
HSD11B1 P28845 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
DPP4 P27487 1/20 0.47
DPP8 Q6V1X1 1/20 0.47
DPP9 Q86TI2 1/20 0.47
DPP7 Q9UHL4 1/20 0.47
GRM5 P41594 3/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46

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
SCHEMBL12124666 0.88 CYP1A2 (0.66) CYP1A2CYP2C9CYP2C19LMNAALDH1A1
SCHEMBL14207431 0.82 CYP1A2 (0.66) CYP1A2CYP2C9CYP2C19LMNAALDH1A1
SCHEMBL8299965 0.81 CYP1A2 (0.63) CYP1A2CYP2C9CYP2C19LMNAALDH1A1
SCHEMBL12124658 0.80 CYP1A2 (0.71) CYP1A2CYP2C9CYP2C19LMNAALDH1A1
SCHEMBL28489214 0.80 CYP1A2 (0.67) CYP1A2CYP2C9CYP2C19LMNAALDH1A1
SCHEMBL29445442 0.80 CYP1A2 (0.67) CYP1A2CYP2C9CYP2C19LMNAALDH1A1
SCHEMBL781659 0.80 CYP1A2 (0.87) CYP1A2CYP2C9CYP2C19LMNAALDH1A1
Hydrochloric Acid SCHEMBL3280808 0.79 CYP1A2 (0.69) CYP1A2CYP2C9CYP2C19LMNAALDH1A1
SCHEMBL5795083 0.77 CYP1A2 (1.00) CYP1A2CYP2C9CYP2C19LMNAALDH1A1
SCHEMBL6708175 0.77 CYP1A2 (1.00) CYP1A2CYP2C9CYP2C19LMNAALDH1A1

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 CYP1A2 2114/4885CYP2C9 1777/4885CYP2C19 2165/4885

“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.