SCHEMBL6152219

SCHEMBL6152219

CC(C)(C)OC(=O)N1CCC(Cn2cccc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.53
PKM P14618 1/20 0.53
GPR119 Q8TDV5 8/20 0.49
MAPT P10636 1/20 0.48
THRB P10828 1/20 0.48
HPGD P15428 1/20 0.48
RECQL P46063 1/20 0.46
EPHX1 P07099 1/20 0.46
FAAH O00519 1/20 0.46
PTPN2 P17706 1/20 0.45
PTPN1 P18031 1/20 0.45
PTPN6 P29350 1/20 0.45

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
SCHEMBL12255478 0.84 FAAH (0.50) KDM4EPKMGPR119MAPTTHRB
SCHEMBL190831 0.82 GPR119 (0.49) KDM4EPKMGPR119HPGDFAAH
SCHEMBL2018953 0.82 GPR119 (0.50) KDM4EPKMGPR119MAPTTHRB
SCHEMBL5573169 0.81 HPGD (0.53) KDM4EPKMGPR119MAPTTHRB
SCHEMBL20873854 0.80 HPGD (0.51) KDM4EPKMGPR119MAPTTHRB
SCHEMBL29113188 0.80 KDM4E (0.56) KDM4EPKMGPR119MAPTTHRB
SCHEMBL15085735 0.79 HPGD (0.57) KDM4EPKMGPR119MAPTTHRB
SCHEMBL4093887 0.79 HPGD (0.57) KDM4EPKMGPR119MAPTHPGD
SCHEMBL1997815 0.79 HPGD (0.54) KDM4EPKMGPR119MAPTTHRB
SCHEMBL4771557 0.78 BACE1 (0.51) KDM4EPKMGPR119MAPTTHRB

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.