SCHEMBL2367271

SCHEMBL2367271

Cc1[nH]c2ccccc2c1C(c1cc(Cl)ccc1O)N1CCOCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.47
ALDH1A1 P00352 4/20 0.47
HTT P42858 2/20 0.47
LMNA P02545 5/20 0.43
KDM4E B2RXH2 3/20 0.43
ALOX12 P18054 2/20 0.43
HSD17B10 Q99714 2/20 0.43
TP53 P04637 2/20 0.43
ALOX15 P16050 2/20 0.43
MCL1 Q07820 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
P4HB P07237 3/20 0.42
SMAD3 P84022 3/20 0.42
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
GAA P10253 2/20 0.41
TSHR P16473 2/20 0.40
VDR P11473 2/20 0.40

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
SCHEMBL10727137 0.78 MAPT (0.58) MAPTALDH1A1LMNAKDM4EALOX12
SCHEMBL10727154 0.75 MAPT (0.63) MAPTALDH1A1LMNAKDM4EALOX12
SCHEMBL8291314 0.73 MAPT (0.80) MAPTALDH1A1LMNAKDM4EALOX12
SCHEMBL8289588 0.73 MAPT (0.51) MAPTALDH1A1LMNAKDM4EALOX12
SCHEMBL20105042 0.69 CCNB2 (0.53) MAPTALDH1A1LMNAKDM4ENPSR1
SCHEMBL27981621 0.66 P4HB (0.67) MAPTALDH1A1HTTP4HBSMAD3
SCHEMBL27981618 0.66 P4HB (0.67) MAPTALDH1A1HTTP4HBSMAD3
SCHEMBL2367267 0.65 GSK3B (0.43) MAPTALDH1A1LMNAKDM4EHSD17B10
SCHEMBL20105008 0.65 CCNB2 (0.46) MAPTALDH1A1LMNAKDM4EHSD17B10
SCHEMBL13708930 0.65 MAPT (0.40) MAPTALDH1A1LMNAKDM4EALOX12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2366394-A1 Characterization and validation of inhibitors and ligands of dipeptidyl aminopeptidase IV (DP IV) IMTM GmbH (DE) 2011-09-21 EP claimed
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
WO-2011113895-A2 CHARACTERIZATION AND VALIDATION OF INHIBITORS AND LIGANDS OF DIPEPTIDYL AMINOPEPTIDASE IV (DP IV) IMTM GMBH (DE) 2011-09-22 WO disclosed
EP-2366394-A1 Characterization and validation of inhibitors and ligands of dipeptidyl aminopeptidase IV (DP IV) IMTM GmbH (DE) 2011-09-21 EP 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 MAPT 1306/4885ALDH1A1 1472/4885HTT 1551/4885
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 MAPT 1296/4885ALDH1A1 1151/4885HTT 2034/4885
US-20070037752-A1 Novel alanyl-amino peptidase inhibitors for functionally influencing different cells and treating immunological, inflammatory, neuronal, and other diseases DNPEP, PREP, ANPEP MAPT 1400/4885ALDH1A1 1025/4885HTT 2080/4885

“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.