SCHEMBL3740545

SCHEMBL3740545

O=[N+]([O-])C1CC(CN2CCC(O)CC2)=CCC1c1ccc(Cl)cc1Cl

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.53
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.44
SLC6A12 P48065 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
CCR1 P32246 1/20 0.33
PIM1 P11309 1/20 0.33
PIM2 Q9P1W9 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CXCR3 P49682 1/20 0.33
PDE7B Q9NP56 1/20 0.33

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
SCHEMBL3740553 1.00 DPP4 (0.53) DPP4KDM4EALDH1A1LMNAPOLB
SCHEMBL3740542 1.00 DPP4 (0.53) DPP4KDM4EALDH1A1LMNAPOLB
SCHEMBL3750164 0.85 DPP4 (0.53) DPP4KDM4EALDH1A1POLBMEN1
SCHEMBL3750160 0.85 DPP4 (0.53) DPP4KDM4EALDH1A1POLBMEN1
SCHEMBL3750157 0.85 DPP4 (0.53) DPP4KDM4EALDH1A1POLBMEN1
SCHEMBL15252660 0.82 DPP4 (0.54) DPP4KDM4EALDH1A1
SCHEMBL15252658 0.82 DPP4 (0.54) DPP4KDM4EALDH1A1
SCHEMBL15252656 0.82 DPP4 (0.54) DPP4KDM4EALDH1A1
SCHEMBL3744755 0.82 DPP4 (0.71) DPP4KDM4EALDH1A1LMNAPOLB
SCHEMBL3744751 0.82 DPP4 (0.71) DPP4KDM4EALDH1A1LMNAPOLB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7834012-B2 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) ABBOTT LABORATORIES (US) 2010-11-16 US disclosed
US-20070049596-A1 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) ABBVIE INC. 2007-03-01 US 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-20070049596-A1 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) DPP4, DPP3, DPP7 DPP4 1/4885KDM4E 1472/4885ALDH1A1 1841/4885

“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.