SCHEMBL6403145

SCHEMBL6403145

CCN(CC1CCN(C(=O)OC(C)(C)C)CC1)C(=O)C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.43
PKM P14618 1/20 0.43
HPGD P15428 1/20 0.43
RECQL P46063 1/20 0.41
EPHX1 P07099 1/20 0.41
DPP4 P27487 1/20 0.41
GPR119 Q8TDV5 8/20 0.40
LIMK2 P53671 1/20 0.40
FAAH O00519 1/20 0.39
USP2 O75604 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL7986517 0.84 LIMK2 (0.48) KDM4EPKMHPGDRECQLEPHX1
SCHEMBL6152127 0.81 HPGD (0.49) KDM4EPKMHPGDRECQLEPHX1
SCHEMBL25580911 0.80 HPGD (0.48) KDM4EPKMHPGDRECQLEPHX1
SCHEMBL7985858 0.79 KDM4E (0.49) KDM4EPKMGPR119LIMK2SMN1; SMN2
SCHEMBL1401260 0.79 HPGD (0.53) KDM4EPKMHPGDRECQLEPHX1
SCHEMBL6402146 0.78 EPHX1 (0.41) KDM4EPKMHPGDRECQLEPHX1
SCHEMBL5135436 0.78 HPGD (0.44) KDM4EPKMHPGDRECQLEPHX1
SCHEMBL5570674 0.78 HPGD (0.51) KDM4EPKMHPGDRECQLEPHX1
SCHEMBL15507268 0.77 GPR119 (0.55) GPR119
SCHEMBL30271580 0.77 ATM (0.41) HPGDEPHX1SMN1; SMN2

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 KDM4E 470/4885PKM 3864/4885HPGD 1642/4885

“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.