SCHEMBL5647451

SCHEMBL5647451

O=C(O)N1CCc2[nH]c(-c3ccccc3)nc2C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTHFD2 P13995 8/20 0.50
DPP4 P27487 1/20 0.45
DPP8 Q6V1X1 1/20 0.45
DPP9 Q86TI2 1/20 0.45
DPP7 Q9UHL4 1/20 0.45
KMT2A Q03164 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PIN1 Q13526 3/20 0.41
ALDH1A1 P00352 2/20 0.40
CYP1A2 P05177 1/20 0.40
MAPK1 P28482 1/20 0.40
CASP1 P29466 1/20 0.40
CYP2C19 P33261 1/20 0.40
KDM4E B2RXH2 1/20 0.40
BRD4 O60885 1/20 0.40
CREBBP Q92793 1/20 0.40
USP2 O75604 1/20 0.38
ALOX12 P18054 1/20 0.38
KDR P35968 1/20 0.38
NPY5R Q15761 1/20 0.38

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
SCHEMBL4762137 0.83 PARP1 (0.46) MTHFD2MAPK1
SCHEMBL16222082 0.79 NOTUM (0.44) MTHFD2DPP4DPP8DPP9DPP7
SCHEMBL24762568 0.78 KDR (0.46) MTHFD2KMT2AL3MBTL1ALDH1A1CYP1A2
SCHEMBL21198461 0.76 BAZ2B (0.49) MTHFD2MAPK1BRD4CREBBP
SCHEMBL16219058 0.76 DPP4 (0.46) MTHFD2DPP4DPP8DPP9DPP7
SCHEMBL2550300 0.75 HRH4 (0.35) BRD4CREBBP
SCHEMBL31574261 0.75 HRH4 (0.41) MTHFD2KDM4E
SCHEMBL30423248 0.75 CHEK2 (0.43) MTHFD2DPP4DPP8DPP9DPP7
SCHEMBL28643397 0.75 BRD4 (0.52) CYP1A2CYP2C19BRD4KDR
SCHEMBL23849970 0.73 KDR (0.48) KDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7265128-B2 3-amino-4-phenylbutanoic acid derivatives as dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes MERCK & CO., INC. (US) 2007-09-04 US disclosed
US-20060069116-A1 3-Amino-4-phenylbutanoic acid derivatives as dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes MERCK SHARP & DOHME LLC 2006-03-30 US 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-20060069116-A1 3-Amino-4-phenylbutanoic acid derivatives as dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes DPP4, DPP3, DPP7 MTHFD2 2528/4885DPP4 1/4885DPP8 5/4885

“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.