SCHEMBL6152437

SCHEMBL6152437

CC(C)(C)OC(=O)N1CCC(CCOC(=O)Oc2ccccc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.56
PKM P14618 1/20 0.56
GPR119 Q8TDV5 12/20 0.52
GAA P10253 1/20 0.49
CSF1R P07333 1/20 0.48
KDR P35968 1/20 0.48
USP30 Q70CQ3 1/20 0.47

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
SCHEMBL6400282 0.89 KDM4E (0.57) KDM4EPKMGPR119GAACSF1R
SCHEMBL2158159 0.85 GPR119 (0.65) KDM4EPKMGPR119CSF1RKDR
SCHEMBL31548821 0.85 ALDH1A1 (0.54) GPR119
SCHEMBL5192061 0.84 GPR119 (0.51) KDM4EPKMGPR119
SCHEMBL18891231 0.83 KDM4E (0.64) KDM4EPKMGPR119
SCHEMBL3360747 0.81 KDM4E (0.56) KDM4EPKMGPR119
Hydrochloric Acid SCHEMBL11350175 0.81 EPHX2 (0.50) GPR119
Benzene SCHEMBL3360754 0.81 KDM4E (0.54) KDM4EPKMGPR119
SCHEMBL7310722 0.81 KDM4E (0.60) KDM4EPKMGPR119
SCHEMBL9349946 0.81 KDM4E (0.60) KDM4EPKMGPR119

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 3864/4885GPR119 789/4885

“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.