SCHEMBL3747802

SCHEMBL3747802

N#Cc1ccc(OCC2=C(c3ccccc3)CC(c3ccc(Cl)cc3Cl)C(N)C2)cc1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 7/20 0.39
MAOB P27338 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.36
TRPV4 Q9HBA0 2/20 0.35
ALDH1A1 P00352 1/20 0.34
HTT P42858 1/20 0.34
CYP19A1 P11511 1/20 0.34
TRPM8 Q7Z2W7 1/20 0.33
NR3C1 P04150 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
BACE1 P56817 1/20 0.32
FNTA P49354 1/20 0.32
FNTB P49356 1/20 0.32
PTGER1 P34995 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
SCHEMBL3747798 1.00 DPP4 (0.39) DPP4MAOBMRGPRX4TRPV4ALDH1A1
SCHEMBL3747806 1.00 DPP4 (0.39) DPP4MAOBMRGPRX4TRPV4ALDH1A1
SCHEMBL3751690 0.89 CYP11B1 (0.38) DPP4ALDH1A1CYP19A1
SCHEMBL3751693 0.89 CYP11B1 (0.38) DPP4ALDH1A1CYP19A1
SCHEMBL3751685 0.89 CYP11B1 (0.38) DPP4ALDH1A1CYP19A1
SCHEMBL3744938 0.84 MAOB (0.34) MAOBMRGPRX4TRPV4ALDH1A1HTT
SCHEMBL3744944 0.84 MAOB (0.34) MAOBMRGPRX4TRPV4ALDH1A1HTT
SCHEMBL3744945 0.84 MAOB (0.34) MAOBMRGPRX4TRPV4ALDH1A1HTT
SCHEMBL3749384 0.78 DPP4 (0.39) DPP4
SCHEMBL3749376 0.78 DPP4 (0.39) DPP4

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 8 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
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 1/4885MAOB 3481/4885MRGPRX4 690/4885

“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.