SCHEMBL6402061

SCHEMBL6402061

CCN(CC)C(=O)OCC1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.46
HPGD P15428 1/20 0.45
KDM4E B2RXH2 1/20 0.44
PKM P14618 1/20 0.44
GPR119 Q8TDV5 9/20 0.44
RECQL P46063 1/20 0.43
BCHE P06276 1/20 0.41
USP2 O75604 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
FAAH O00519 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
SCHEMBL5190669 0.83 HPGD (0.51) EPHX1HPGDKDM4EPKMGPR119
SCHEMBL27940027 0.82 HPGD (0.48) EPHX1HPGDKDM4EPKMGPR119
SCHEMBL27417726 0.81 HPGD (0.50) EPHX1HPGDKDM4EPKMGPR119
SCHEMBL5190671 0.81 KDM4E (0.52) EPHX1HPGDKDM4EPKMGPR119
SCHEMBL6402146 0.80 EPHX1 (0.41) EPHX1HPGDKDM4EPKMGPR119
SCHEMBL4105386 0.80 HPGD (0.49) EPHX1HPGDKDM4EPKMGPR119
SCHEMBL20656863 0.80 HPGD (0.49) EPHX1HPGDKDM4EPKMGPR119
SCHEMBL13106153 0.80 HPGD (0.46) EPHX1HPGDKDM4EPKMGPR119
SCHEMBL25307040 0.79 HPGD (0.51) EPHX1HPGDKDM4EPKMGPR119
SCHEMBL2149045 0.79 GPR119 (0.51) EPHX1HPGDKDM4EPKMGPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050143391-A1 Heterocyclic amides with alpha-4 integrin antagonist activity J. Uriach Y Compañia S.A. (ES) 2005-06-30 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-20050143391-A1 Heterocyclic amides with alpha-4 integrin antagonist activity ITGB4, ITGA4, ITGA1 EPHX1 804/4885HPGD 1642/4885KDM4E 470/4885

“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.