SCHEMBL3750157

SCHEMBL3750157

CCOC(=O)C1CCN(CC2=CC[C@H](c3ccc(Cl)cc3Cl)[C@@H]([N+](=O)[O-])C2)CC1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.53
ALDH1A1 P00352 6/20 0.48
KDM4E B2RXH2 4/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
TSHR P16473 2/20 0.46
POLB P06746 1/20 0.46
ALOX15 P16050 1/20 0.46
MAPK1 P28482 1/20 0.46
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
ATM Q13315 1/20 0.44
VCAM1 P19320 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MAPT P10636 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
SCHEMBL3750164 1.00 DPP4 (0.53) DPP4ALDH1A1KDM4ESMN1; SMN2TSHR
SCHEMBL3750160 1.00 DPP4 (0.53) DPP4ALDH1A1KDM4ESMN1; SMN2TSHR
SCHEMBL3749242 0.90 KDM4E (0.54) DPP4ALDH1A1KDM4ESMN1; SMN2TSHR
SCHEMBL3750928 0.90 KDM4E (0.54) DPP4ALDH1A1KDM4ESMN1; SMN2TSHR
SCHEMBL3755863 0.86 DPP4 (0.70) DPP4ALDH1A1KDM4ESMN1; SMN2TSHR
SCHEMBL3755871 0.86 DPP4 (0.70) DPP4ALDH1A1KDM4ESMN1; SMN2TSHR
SCHEMBL3755867 0.86 DPP4 (0.70) DPP4ALDH1A1KDM4ESMN1; SMN2TSHR
SCHEMBL3740553 0.85 DPP4 (0.53) DPP4ALDH1A1KDM4EPOLBKMT2A
SCHEMBL3740542 0.85 DPP4 (0.53) DPP4ALDH1A1KDM4EPOLBKMT2A
SCHEMBL3740545 0.85 DPP4 (0.53) DPP4ALDH1A1KDM4EPOLBKMT2A

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
EP-1919854-B1 PHARMACEUTICAL COMPOSITIONS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE-IV (DPP-IV) ABBVIE INC (US) 2013-09-18 EP disclosed
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 1/4885ALDH1A1 1841/4885KDM4E 1472/4885

“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.