SCHEMBL5658113

SCHEMBL5658113

O=CN(O)C(CC(=O)N1C=CCCN1C(=O)c1ccccc1)CC1CCCC1

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 4/20 0.32
DPP8 Q6V1X1 3/20 0.32
DPP9 Q86TI2 3/20 0.32
DPP7 Q9UHL4 3/20 0.32
ALDH1A1 P00352 4/20 0.32
MMP2 P08253 1/20 0.32
MMP9 P14780 1/20 0.32
MMP12 P39900 1/20 0.32
OPRM1 P35372 1/20 0.31
OPRD1 P41143 1/20 0.31
OPRK1 P41145 1/20 0.31
KDM4E B2RXH2 3/20 0.31
POLB P06746 2/20 0.31
GAA P10253 1/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA4 P43681 1/20 0.31
ATM Q13315 1/20 0.31
SLC18A3 Q16572 1/20 0.30

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
SCHEMBL5659385 0.91 CTSS (0.34) DPP4ALDH1A1KDM4EPOLBATM
SCHEMBL5659365 0.91 RECQL (0.34) ALDH1A1KDM4E
SCHEMBL5658025 0.88 MEN1 (0.34) DPP4ALDH1A1POLBGAA
SCHEMBL5658863 0.88 ALDH1A1 (0.35) ALDH1A1POLB
SCHEMBL5659018 0.88 ALDH1A1 (0.36) ALDH1A1KDM4EPOLBATM
SCHEMBL5660846 0.85 DPP4 (0.42) DPP4DPP8DPP9DPP7ALDH1A1
SCHEMBL5658745 0.82
SCHEMBL5658281 0.81 ALDH1A1 (0.42) ALDH1A1KDM4EPOLB
SCHEMBL5658076 0.81
SCHEMBL5659416 0.75 POLB (0.37) DPP4DPP8DPP9DPP7ALDH1A1

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
US-7192953-B2 Antibacterial agents VERNALIS (OXFORD) LIMITED (GB) 2007-03-20 US disclosed
US-20060128811-A1 Hydroxamic acid- and N-formyl hydroxylamine hydrazide derivatives; veterinary medicine VERNALIS (OXFORD) LIMITED (GB) 2006-06-15 US disclosed
EP-1567504-A1 ANTIBACTERIAL AGENTS Vernalis (Oxford) Ltd (GB) 2005-08-31 EP disclosed
WO-2004050638-A1 ANTIBACTERIAL AGENTS VERNALIS (OXFORD) LTD. (GB) 2004-06-17 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-20060128811-A1 Hydroxamic acid- and N-formyl hydroxylamine hydrazide derivatives; veterinary medicine HRH2, HCAR3, HCAR2 DPP4 3934/4885DPP8 4444/4885DPP9 4155/4885

“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.