SCHEMBL6148507

SCHEMBL6148507

CC(C)(C)OC(=O)N1CCC(CNC(=O)N2CCCC2)CC1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.60
PKM P14618 1/20 0.60
HPGD P15428 1/20 0.56
TPSAB1 Q15661 3/20 0.51
TPSD1 Q9BZJ3 3/20 0.51
TPSG1 Q9NRR2 3/20 0.51
NAMPT P43490 2/20 0.51
EPHX1 P07099 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.46
ABL1 P00519 1/20 0.46
RIN1 Q13671 1/20 0.46
FPR3 P25089 1/20 0.45
FPR2 P25090 1/20 0.45
KDM1A O60341 1/20 0.45
EPHX2 P34913 1/20 0.45
TGFBR1 P36897 1/20 0.44

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
SCHEMBL6150540 0.89 KDM4E (0.58) KDM4EPKMHPGDTPSAB1TPSD1
SCHEMBL1245476 0.84 KDM4E (0.64) KDM4EPKMHPGDNAMPTEPHX1
SCHEMBL24853346 0.84 KDM4E (0.64) KDM4EPKMHPGDNAMPTEPHX1
SCHEMBL6152939 0.84 KDM4E (0.68) KDM4EPKMHPGDEPHX1SMN1; SMN2
SCHEMBL5573225 0.84 KDM4E (0.63) KDM4EPKMHPGDEPHX1SMN1; SMN2
SCHEMBL13812320 0.83 KDM4E (0.60) KDM4EPKMHPGDEPHX1SMN1; SMN2
SCHEMBL31402457 0.83 KDM4E (0.60) KDM4EPKMHPGDEPHX1SMN1; SMN2
SCHEMBL3632843 0.83 KDM4E (0.63) KDM4EPKMHPGDNAMPTEPHX1
SCHEMBL21551407 0.83 KDM4E (0.63) KDM4EPKMHPGDEPHX1SMN1; SMN2
SCHEMBL21551436 0.83 KDM4E (0.63) KDM4EPKMHPGDEPHX1SMN1; 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 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 3864/4885HPGD 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.