SCHEMBL648684

SCHEMBL648684

N[C@H]1CC[C@H](Oc2ccc(Br)cn2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 2/20 0.44
PDGFRA P16234 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.35
FEN1 P39748 2/20 0.33
ALOX5AP P20292 1/20 0.33
KDM1A O60341 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
HCRTR1 O43613 2/20 0.32
HCRTR2 O43614 2/20 0.32
HASPIN Q8TF76 1/20 0.32
HRH3 Q9Y5N1 3/20 0.32
TDO2 P48775 1/20 0.32
LOX P28300 1/20 0.32
LOXL2 Q9Y4K0 1/20 0.32
AVPR1A P37288 1/20 0.32
PLAU P00749 1/20 0.32
ADRA2A P08913 1/20 0.32
ADRA2B P18089 1/20 0.32
ADRA2C P18825 1/20 0.32

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
SCHEMBL646186 1.00 DGAT1 (0.44) DGAT1PDGFRAIRAK4FEN1ALOX5AP
SCHEMBL15633157 0.91 DGAT1 (0.49) DGAT1HCRTR1HCRTR2HRH3TDO2
SCHEMBL22242694 0.90 DGAT1 (0.40) DGAT1PDGFRAIRAK4KDM1AMAOA
SCHEMBL30296157 0.84 DGAT1 (0.47) DGAT1PDGFRAHRH3TDO2LOX
SCHEMBL4000064 0.84 DGAT1 (0.47) DGAT1PDGFRAHRH3TDO2LOX
SCHEMBL1928105 0.84 DGAT1 (0.47) DGAT1PDGFRAHRH3TDO2LOX
SCHEMBL625001 0.83 DGAT1 (0.46) DGAT1PDGFRAHRH3LOXLOXL2
SCHEMBL4703772 0.80 FPR2 (0.44) DGAT1IRAK4HCRTR1AVPR1ACACNB4
SCHEMBL648307 0.80 FPR2 (0.44) DGAT1IRAK4HCRTR1AVPR1ACACNB4
SCHEMBL29944695 0.80 DGAT1 (0.44) DGAT1IRAK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8637546-B2 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DDP-IV) ABBVIE INC. (US) 2014-01-28 US disclosed
US-20130059873-A1 PHARMACEUTICAL COMPOSITIONS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE-IV (DPP-IV) ABBVIE INC. 2013-03-07 US disclosed
US-8119664-B2 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) ABBOTT LABORATORIES (US) 2012-02-21 US disclosed
US-20100190822-A1 Pharmaceutical Compositions As Inhibitors of Dipeptidyl Peptidase-IV (DPP-IV) ABBOTT LABORATORIES (US) 2010-07-29 US disclosed
US-20070265302-A1 PHARMACEUTICAL COMPOSITIONS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE-IV (DPP-IV) MADAR DAVID J 2007-11-15 US disclosed
US-20070238753-A1 Pharmaceutical Compositions as Inhibitors of Dipeptidyl Peptidase-IV (DPP-IV) MADAR DAVID J 2007-10-11 US disclosed
US-7262207-B2 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) ABBOTT LABORATORIES (US) 2007-08-28 US disclosed
US-7238724-B2 Antidiabetic agents; hyperlipemic agents; obestity; immunomoderator; atherosclerosis ABBOTT LABORATORIES (US) 2007-07-03 US disclosed
US-20050215784-A1 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) ABBVIE INC. 2005-09-29 US disclosed
US-20040259843-A1 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) ABBVIE INC. 2004-12-23 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 (6 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-20130059873-A1 PHARMACEUTICAL COMPOSITIONS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE-IV (DPP-IV) DPP4, DPP3, DPP7 DGAT1 729/4885PDGFRA 1550/4885IRAK4 86/4885
US-20070265302-A1 PHARMACEUTICAL COMPOSITIONS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE-IV (DPP-IV) DPP4, DPP3, DPP7 DGAT1 729/4885PDGFRA 1550/4885IRAK4 86/4885
US-20100190822-A1 Pharmaceutical Compositions As Inhibitors of Dipeptidyl Peptidase-IV (DPP-IV) DPP4, DPP3, DPP7 DGAT1 729/4885PDGFRA 1550/4885IRAK4 86/4885
US-20050215784-A1 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) DPP4, DPP3, DPP7 DGAT1 710/4885PDGFRA 1545/4885IRAK4 89/4885
US-20070238753-A1 Pharmaceutical Compositions as Inhibitors of Dipeptidyl Peptidase-IV (DPP-IV) DPP4, DPP3, DPP7 DGAT1 710/4885PDGFRA 1545/4885IRAK4 89/4885
US-20040259843-A1 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) DPP4, DPP3, DPP7 DGAT1 729/4885PDGFRA 1550/4885IRAK4 86/4885

“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.