SCHEMBL3744745

SCHEMBL3744745

N[C@H]1CC(CN2CCC(O)CC2)=CC[C@@H]1c1ccc(Cl)cc1Cl

nearest known ligand 0.71

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 9/20 0.71
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 2/20 0.36
LMNA P02545 2/20 0.36
POLB P06746 1/20 0.36
SLC6A12 P48065 1/20 0.36
SIGMAR1 Q99720 1/20 0.35
CCR5 P51681 1/20 0.35

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
SCHEMBL3744751 1.00 DPP4 (0.71) DPP4HTR2AHTR2CHTR2BALDH1A1
SCHEMBL3744755 1.00 DPP4 (0.71) DPP4HTR2AHTR2CHTR2BALDH1A1
SCHEMBL3738717 0.88 DPP4 (0.89) DPP4SLC6A12SIGMAR1CCR5
SCHEMBL3738710 0.88 DPP4 (0.89) DPP4SLC6A12SIGMAR1CCR5
SCHEMBL3738720 0.88 DPP4 (0.89) DPP4SLC6A12SIGMAR1CCR5
SCHEMBL3755863 0.82 DPP4 (0.70) DPP4ALDH1A1KDM4EPOLB
SCHEMBL3755867 0.82 DPP4 (0.70) DPP4ALDH1A1KDM4EPOLB
SCHEMBL3755871 0.82 DPP4 (0.70) DPP4ALDH1A1KDM4EPOLB
SCHEMBL3740545 0.82 DPP4 (0.53) DPP4ALDH1A1KDM4ELMNAPOLB
SCHEMBL3740553 0.82 DPP4 (0.53) DPP4ALDH1A1KDM4ELMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070049596-A1 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) ABBVIE INC. 2007-03-01 US claimed
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 1/4885HTR2A 2636/4885HTR2C 3324/4885

“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.