SCHEMBL3750118

SCHEMBL3750118

O=[N+]([O-])C1CC(COc2ccncc2)=C(c2cccnc2)CC1c1ccc(Cl)cc1Cl

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 3/20 0.35
INPPL1 O15357 1/20 0.34
ALDH1A1 P00352 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
CYP19A1 P11511 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
DPP4 P27487 1/20 0.32
MAPT P10636 2/20 0.32
LMNA P02545 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
S1PR4 O95977 1/20 0.32
RAB9A P51151 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
SLC6A4 P31645 1/20 0.31
HTT P42858 2/20 0.31

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
SCHEMBL3750112 1.00 GRM5 (0.35) GRM5INPPL1ALDH1A1SMN1; SMN2CYP19A1
SCHEMBL3750123 1.00 GRM5 (0.35) GRM5INPPL1ALDH1A1SMN1; SMN2CYP19A1
SCHEMBL3752846 0.91 CYP11B1 (0.39) GRM5INPPL1ALDH1A1SMN1; SMN2CYP19A1
SCHEMBL3752840 0.91 CYP11B1 (0.39) GRM5INPPL1ALDH1A1SMN1; SMN2CYP19A1
SCHEMBL3752836 0.91 CYP11B1 (0.39) GRM5INPPL1ALDH1A1SMN1; SMN2CYP19A1
SCHEMBL3743882 0.86 GPR132 (0.39) ALDH1A1CYP19A1CYP11B1CYP11B2NPSR1
SCHEMBL3743893 0.86 GPR132 (0.39) ALDH1A1CYP19A1CYP11B1CYP11B2NPSR1
SCHEMBL3743877 0.86 GPR132 (0.39) ALDH1A1CYP19A1CYP11B1CYP11B2NPSR1
SCHEMBL3745194 0.86 ALDH1A1 (0.38) GRM5ALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL3745198 0.86 ALDH1A1 (0.38) GRM5ALDH1A1SMN1; 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 3 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
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 GRM5 523/4885INPPL1 233/4885ALDH1A1 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.