SCHEMBL5037174

SCHEMBL5037174

CC(C)(C)OC(=O)N1CCCN(COCc2ccccc2)C(=O)C1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.42
KLK7 P49862 1/20 0.41
MAPK1 P28482 1/20 0.41
STS P08842 1/20 0.41
GPR119 Q8TDV5 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ESR2 Q92731 1/20 0.40
USP30 Q70CQ3 1/20 0.39
LIPG Q9Y5X9 1/20 0.39
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
CKS1B P61024 1/20 0.39
SKP1 P63208 1/20 0.39
SKP2 Q13309 1/20 0.39
P2RX3 P56373 1/20 0.39
TEAD3 Q99594 1/20 0.39

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
SCHEMBL327031 0.86 L3MBTL1 (0.47) MAPK1STSGPR119MEN1KMT2A
SCHEMBL5036525 0.85 TEAD3 (0.44) MEN1KMT2ATEAD3
SCHEMBL1049753 0.79 HDAC1 (0.50) MAPK1STSGPR119KMT2ALIPG
SCHEMBL5002349 0.77 CHRM2 (0.53) TACR1STSGPR119MEN1KMT2A
SCHEMBL8894163 0.77 P2RX3 (0.50) MAPK1STSGPR119LIPGP2RX3
SCHEMBL13244923 0.77 MAPK1 (0.44) KLK7MAPK1STSGPR119MEN1
SCHEMBL16847349 0.76 MEN1 (0.57) STSGPR119MEN1KMT2ACKS1B
SCHEMBL14334288 0.75 SMN1; SMN2 (0.50) STSGPR119JAK2JAK1
SCHEMBL4139518 0.75 SIGMAR1 (0.52) MAPK1STSLIPGP2RX3
SCHEMBL8293418 0.75 OPRD1 (0.47) MAPK1STSGPR119KMT2AJAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1556362-B1 BETA-AMINO HETEROCYCLIC DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK & CO INC (US) 2008-03-26 EP disclosed
US-7101871-B2 Beta-amino heterocyclic dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes MERCK & CO., INC. (US) 2006-09-05 US disclosed
EP-1556362-A4 BETA-AMINO HETEROCYCLIC DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK & CO INC (US) 2006-08-23 EP disclosed
EP-1556362-A2 BETA-AMINO HETEROCYCLIC DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES Merck & Co., Inc. (US) 2005-07-27 EP disclosed
US-20040254167-A1 Beta-amino heterocyclic dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes MERCK SHARP & DOHME CORP. 2004-12-16 US disclosed
WO-2004037169-A2 BETA-AMINO HETEROCYCLIC DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK & CO., INC. (US) 2004-05-06 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-20040254167-A1 Beta-amino heterocyclic dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes DPP4, DPP3, DPP7 TACR1 1908/4885KLK7 2804/4885MAPK1 4217/4885

“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.