SCHEMBL5229869

SCHEMBL5229869

CCOC(=O)C(=O)NNc1cnccn1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 8/20 0.50
SMN1; SMN2 Q16637 6/20 0.50
HTT P42858 1/20 0.50
KDM4E B2RXH2 4/20 0.48
ALDH1A1 P00352 3/20 0.48
TDP1 Q9NUW8 2/20 0.48
RAB9A P51151 6/20 0.45
PKM P14618 1/20 0.44
TSHR P16473 1/20 0.44
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 4/20 0.41
NOTUM Q6P988 1/20 0.41
CHRNB2 P17787 1/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNA4 P43681 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL27898650 0.85 GAA (0.56) GAASMN1; SMN2HTTKDM4EALDH1A1
SCHEMBL11543325 0.85 KDM4E (0.54) GAASMN1; SMN2KDM4EALDH1A1RAB9A
SCHEMBL18366375 0.82 GAA (0.53) GAASMN1; SMN2HTTKDM4EALDH1A1
SCHEMBL29234852 0.79 GAA (0.58) GAASMN1; SMN2HTTKDM4EALDH1A1
SCHEMBL18974033 0.78 KDM4E (0.55) SMN1; SMN2HTTKDM4ERAB9AKMT2A
SCHEMBL18377747 0.78 GAA (0.50) GAASMN1; SMN2HTTKDM4EALDH1A1
SCHEMBL9131695 0.76 KDM4E (0.46) GAASMN1; SMN2HTTKDM4EALDH1A1
SCHEMBL14380664 0.75 RAB9A (0.56) GAASMN1; SMN2KDM4ERAB9ATSHR
Pyrazine Carboxylic Acid Hydrazide SCHEMBL28525600 0.74 KDM4E (0.50) SMN1; SMN2HTTKDM4ERAB9AKMT2A
SCHEMBL7955683 0.74 RAB9A (0.45) GAASMN1; SMN2HTTKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1583534-A4 3-AMINO-4-PHENYLBUTANOIC ACID DERIVATIVES AS DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK & CO INC (US) 2007-08-29 EP disclosed
US-20060052382-A1 3-Amino-4-phenylbutanoic acid derivatives as dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes MERCK & CO., INC. 2006-03-09 US disclosed
EP-1583534-A1 3-AMINO-4-PHENYLBUTANOIC ACID DERIVATIVES AS DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES Merck & Co., Inc. (US) 2005-10-12 EP disclosed
WO-2004058266-A1 3-AMINO-4-PHENYLBUTANOIC ACID DERIVATIVES AS DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK & CO., INC. (US) 2004-07-15 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-20060052382-A1 3-Amino-4-phenylbutanoic acid derivatives as dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes DPP4, DPP3, DPP7 GAA 210/4885SMN1; SMN2 4201/4885HTT 3264/4885

“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.