SCHEMBL3749384

SCHEMBL3749384

NC1CC(COc2ccncc2)=C(c2cccnc2)CC1c1ccc(Cl)cc1Cl

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 9/20 0.39
GRM5 P41594 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.36
MAPT P10636 2/20 0.34
LMNA P02545 2/20 0.33
INPPL1 O15357 2/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
VCP P55072 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 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
SCHEMBL3749376 1.00 DPP4 (0.39) DPP4GRM5SMN1; SMN2MAPTLMNA
SCHEMBL3749382 1.00 DPP4 (0.39) DPP4GRM5SMN1; SMN2MAPTLMNA
SCHEMBL3751693 0.90 CYP11B1 (0.38) DPP4GRM5MAPTLMNAINPPL1
SCHEMBL3751690 0.90 CYP11B1 (0.38) DPP4GRM5MAPTLMNAINPPL1
SCHEMBL3751685 0.90 CYP11B1 (0.38) DPP4GRM5MAPTLMNAINPPL1
SCHEMBL3750711 0.86 NR4A2 (0.47)
SCHEMBL3750719 0.86 NR4A2 (0.47)
SCHEMBL3750118 0.85 GRM5 (0.35) DPP4GRM5SMN1; SMN2MAPTLMNA
SCHEMBL3750123 0.85 GRM5 (0.35) DPP4GRM5SMN1; SMN2MAPTLMNA
SCHEMBL3750112 0.85 GRM5 (0.35) DPP4GRM5SMN1; SMN2MAPTLMNA

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
EP-1919854-A2 PHARMACEUTICAL COMPOSITIONS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE-IV (DPP-IV) ABBOTT LABORATORIES (US) 2008-05-14 EP claimed
WO-2007027651-A2 PHARMACEUTICAL COMPOSITIONS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE-IV (DPP-IV) ABBOTT LABORATORIES (US) 2007-03-08 WO claimed
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
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 1/4885GRM5 523/4885SMN1; SMN2 4655/4885

“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.