SCHEMBL6157052

SCHEMBL6157052

CC(C)(C)OC(=O)N1CCC(CNC(=O)CCCCl)CC1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.56
PKM P14618 1/20 0.56
FAAH O00519 1/20 0.46
FPR3 P25089 1/20 0.45
FPR2 P25090 1/20 0.45
GLS O94925 1/20 0.44
GPR119 Q8TDV5 6/20 0.44
EPHX1 P07099 1/20 0.43
HPGD P15428 1/20 0.42
TGFBR1 P36897 1/20 0.41
TP53 P04637 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
SCHEMBL7754715 0.88 KDM4E (0.59) KDM4EPKMFAAHFPR3FPR2
SCHEMBL31117959 0.87 KDM4E (0.60) KDM4EPKMFPR3FPR2GLS
SCHEMBL11268 0.84 KDM4E (0.53) KDM4EPKMFAAHFPR3FPR2
SCHEMBL3098100 0.83 KDM4E (0.62) KDM4EPKMFPR3FPR2GLS
SCHEMBL7086465 0.82 KDM4E (0.56) KDM4EPKMFPR3FPR2GLS
SCHEMBL22720466 0.82 EPHX1 (0.58) FAAHEPHX1HPGD
SCHEMBL3050761 0.82 KDM4E (0.60) KDM4EPKMFAAHFPR3FPR2
SCHEMBL31660875 0.81 FAAH (0.58) KDM4EPKMFAAHHPGD
SCHEMBL6402066 0.81 KDM4E (0.59) KDM4EPKMFPR3FPR2GLS
SCHEMBL6152554 0.80 KDM4E (0.56) KDM4EPKMFPR3FPR2GPR119

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 3 patents. 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
EP-1495044-A1 HETEROCYCLIC AMIDES WITH ALPHA-4 INTEGRIN ANTAGONIST ACTIVITY J. Uriach y Compania S.A. (ES) 2005-01-12 EP disclosed
WO-2003084984-A1 HETEROCYCLIC AMIDES WITH ALPHA-4 INTEGRIN ANTAGONIST ACTIVITY J. URIACH Y COMPANIA S.A. (ES) 2003-10-16 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-20050143391-A1 Heterocyclic amides with alpha-4 integrin antagonist activity ITGB4, ITGA4, ITGA1 KDM4E 470/4885PKM 3864/4885FAAH 1729/4885

“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.