SCHEMBL8290667

SCHEMBL8290667

CCOC(=O)c1ccc(-c2ccc(/C=C3\C(=O)N(CCO)C(=O)C(C#N)=C3C)o2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.55
MAPT P10636 11/20 0.53
KDM4E B2RXH2 5/20 0.53
ALDH1A1 P00352 5/20 0.53
HPGD P15428 4/20 0.53
POLB P06746 3/20 0.53
MCL1 Q07820 3/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
RECQL P46063 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
HSP90AA1 P07900 1/20 0.53
LMNA P02545 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
MAP3K5 Q99683 1/20 0.46

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
SCHEMBL14584255 0.92 SIRT2 (0.52) ESR2MAPTKDM4EALDH1A1HPGD
SCHEMBL8290540 0.86 SIRT2 (0.51) ESR2MAPTKDM4EALDH1A1HPGD
SCHEMBL14583939 0.83 ESR2 (0.56) ESR2MAPTKDM4EALDH1A1HPGD
SCHEMBL8290432 0.81 ESR2 (0.72) ESR2MAPTKDM4EALDH1A1HPGD
SCHEMBL8290542 0.81 ESR2 (0.51) ESR2MAPTKDM4EALDH1A1HPGD
SCHEMBL8291240 0.81 ESR2 (0.84) ESR2MAPTKDM4EALDH1A1HPGD
SCHEMBL8290629 0.81 ESR2 (0.57) ESR2MAPTKDM4EALDH1A1HPGD
SCHEMBL8291187 0.80 ESR2 (0.49) ESR2MAPTKDM4EALDH1A1HPGD
SCHEMBL19419928 0.80 ESR2 (0.47) ESR2MAPTKDM4EALDH1A1HPGD
SCHEMBL14680238 0.80 ESR2 (0.61) ESR2MAPTKDM4EALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8263636-B2 Dual alanyl aminopeptidase and dipeptidyl peptidase iv inhibitors for functionally influencing different cells and for treating immunological inflammatory, neuronal and other diseases IMTM GMBH (DE) 2012-09-11 US disclosed
US-8263636-B2 Dual alanyl aminopeptidase and dipeptidyl peptidase iv inhibitors for functionally influencing different cells and for treating immunological inflammatory, neuronal and other diseases IMTM GMBH (DE) 2012-09-11 US disclosed
EP-2105441-A1 Alanyl aminopeptidase and dipeptidylpeptidase IV dual inhibitors for the treatment of immunological, inflammatory, neuronal and other illnesses IMTM GmbH (DE) 2009-09-30 EP disclosed
US-20070078130-A1 Dual alanyl aminopeptidase and dipeptidyl peptidase iv inhibitors for functionally influencing different cells and for treating immunological inflammatory, neuronal and other diseases KEYNEUROTEK PHARMACEUTICALS AG (DE) 2007-04-05 US disclosed
US-20070078130-A1 Dual alanyl aminopeptidase and dipeptidyl peptidase iv inhibitors for functionally influencing different cells and for treating immunological inflammatory, neuronal and other diseases KEYNEUROTEK PHARMACEUTICALS AG (DE) 2007-04-05 US disclosed
US-20070037752-A1 Novel alanyl-amino peptidase inhibitors for functionally influencing different cells and treating immunological, inflammatory, neuronal, and other diseases KEYNEUROTEK PHARMACEUTICALS AG (DE) 2007-02-15 US disclosed
US-20070037752-A1 Novel alanyl-amino peptidase inhibitors for functionally influencing different cells and treating immunological, inflammatory, neuronal, and other diseases KEYNEUROTEK PHARMACEUTICALS AG (DE) 2007-02-15 US disclosed
US-20070037785-A1 Novel dipeptidyl peptidase IV inhibitors used for functionally influencing different cells and treating immunological, infammatory, neuronal, and other diseases KEYNEUROTEK PHARMACEUTICALS AG (DE) 2007-02-15 US disclosed
US-20070037785-A1 Novel dipeptidyl peptidase IV inhibitors used for functionally influencing different cells and treating immunological, infammatory, neuronal, and other diseases KEYNEUROTEK PHARMACEUTICALS AG (DE) 2007-02-15 US disclosed
WO-2005037779-A2 NOVEL DIPEPTIDYL PEPTIDASE IV INHIBITORS USED FOR FUNCTIONALLY INFLUENCING DIFFERENT CELLS AND TREATING IMMUNOLOGICAL, INFLAMMATORY, NEURONAL, AND OTHER DISEASES IMTM GMBH (DE) 2005-04-28 WO disclosed
WO-2005037257-A2 NOVEL ALANYL-AMINO PEPTIDASE INHIBITORS FOR FUNCTIONALLY INFLUENCING DIFFERENT CELLS AND TREATING IMMUNOLOGICAL, INFLAMMATORY, NEURONAL, AND OTHER DISEASES IMTM GMBH (DE) 2005-04-28 WO disclosed
WO-2005034940-A2 DUAL ALANYL AMINOPEPTIDASE AND DIPEPTIDYL PEPTIDASE IV INHIBITORS FOR FUNCTIONALLY INFLUENCING DIFFERENT CELLS AND FOR TREATING IMMUNOLOGICAL, INFLAMMATORY, NEURONAL AND OTHER DISEASES IMTM GMBH (DE) 2005-04-21 WO 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 (3 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-20070037785-A1 Novel dipeptidyl peptidase IV inhibitors used for functionally influencing different cells and treating immunological, infammatory, neuronal, and other diseases DNPEP, PREP, DPP4 ESR2 3363/4885MAPT 1306/4885KDM4E 3785/4885
US-20070078130-A1 Dual alanyl aminopeptidase and dipeptidyl peptidase iv inhibitors for functionally influencing different cells and for treating immunological inflammatory, neuronal and other diseases DNPEP, PREP, ANPEP ESR2 3223/4885MAPT 1296/4885KDM4E 3398/4885
US-20070037752-A1 Novel alanyl-amino peptidase inhibitors for functionally influencing different cells and treating immunological, inflammatory, neuronal, and other diseases DNPEP, PREP, ANPEP ESR2 2544/4885MAPT 1400/4885KDM4E 3461/4885

“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.