SCHEMBL3755863

SCHEMBL3755863

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

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.70
KDM4E B2RXH2 5/20 0.51
ALDH1A1 P00352 5/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
TSHR P16473 2/20 0.49
POLB P06746 1/20 0.49
ALOX15 P16050 1/20 0.48
MAPK1 P28482 1/20 0.48
ATM Q13315 1/20 0.46
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
HSD17B10 Q99714 1/20 0.45
MAPT P10636 1/20 0.45

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
SCHEMBL3755867 1.00 DPP4 (0.70) DPP4KDM4EALDH1A1SMN1; SMN2TSHR
SCHEMBL3755871 1.00 DPP4 (0.70) DPP4KDM4EALDH1A1SMN1; SMN2TSHR
SCHEMBL3745719 0.90 DPP4 (0.59) DPP4KDM4EALDH1A1SMN1; SMN2TSHR
SCHEMBL3747790 0.90 DPP4 (0.59) DPP4KDM4EALDH1A1SMN1; SMN2TSHR
SCHEMBL3738710 0.88 DPP4 (0.89) DPP4
SCHEMBL3738720 0.88 DPP4 (0.89) DPP4
SCHEMBL3738717 0.88 DPP4 (0.89) DPP4
SCHEMBL3750160 0.86 DPP4 (0.53) DPP4KDM4EALDH1A1SMN1; SMN2TSHR
SCHEMBL3750157 0.86 DPP4 (0.53) DPP4KDM4EALDH1A1SMN1; SMN2TSHR
SCHEMBL3750164 0.86 DPP4 (0.53) DPP4KDM4EALDH1A1SMN1; SMN2TSHR

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 5 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
EP-1919854-A2 PHARMACEUTICAL COMPOSITIONS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE-IV (DPP-IV) ABBOTT LABORATORIES (US) 2008-05-14 EP disclosed
WO-2007027651-A2 PHARMACEUTICAL COMPOSITIONS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE-IV (DPP-IV) ABBOTT LABORATORIES (US) 2007-03-08 WO 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.