SCHEMBL8300306

SCHEMBL8300306

CCOC(=O)n1ccc(C(=O)Nc2ccccc2F)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 1.00
SMN1; SMN2 Q16637 8/20 0.60
NPC1 O15118 8/20 0.60
RAB9A P51151 8/20 0.60
ALOX15 P16050 2/20 0.60
F2 P00734 1/20 0.60
LMNA P02545 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
MAPT P10636 2/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
MEN1 O00255 2/20 0.46
MAPK1 P28482 1/20 0.46
ALDH1A1 P00352 2/20 0.45
EPHB3 P54753 1/20 0.44
RIPK1 Q13546 1/20 0.43

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
SCHEMBL8298536 0.78 KMT2A (0.64) KMT2ASMN1; SMN2NPC1RAB9AALOX15
SCHEMBL6003833 0.76 KMT2A (0.61) KMT2ASMN1; SMN2NPC1RAB9AALOX15
SCHEMBL6004192 0.74 KMT2A (0.58) KMT2ASMN1; SMN2NPC1RAB9AALOX15
SCHEMBL4826133 0.72 ALDH1A1 (0.62) KMT2ASMN1; SMN2NPC1RAB9ALMNA
SCHEMBL10436784 0.72 KMT2A (0.56) KMT2ASMN1; SMN2NPC1RAB9AALOX15
SCHEMBL8298459 0.72 KMT2A (0.57) KMT2ASMN1; SMN2NPC1RAB9AALOX15
SCHEMBL14967653 0.72 MAPT (0.56) KMT2ASMN1; SMN2NPC1RAB9ALMNA
SCHEMBL21595582 0.71 SMN1; SMN2 (0.60) KMT2ASMN1; SMN2NPC1RAB9ALMNA
SCHEMBL30763190 0.71 SMN1; SMN2 (0.60) KMT2ASMN1; SMN2NPC1RAB9ALMNA
SCHEMBL26847457 0.70 RAB9A (0.67) KMT2ASMN1; SMN2NPC1RAB9AMAPT

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
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

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-20070037785-A1 Novel dipeptidyl peptidase IV inhibitors used for functionally influencing different cells and treating immunological, infammatory, neuronal, and other diseases DNPEP, PREP, DPP4 KMT2A 4135/4885SMN1; SMN2 4098/4885NPC1 732/4885

“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.