SCHEMBL6155301

SCHEMBL6155301

CN1CCN(C(=O)OCC2CCN(C(=O)OC(C)(C)C)CC2)CC1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.47
KDM4E B2RXH2 1/20 0.46
PKM P14618 1/20 0.46
GPR119 Q8TDV5 8/20 0.46
RECQL P46063 1/20 0.45
EPHX1 P07099 1/20 0.45
USP2 O75604 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TP53 P04637 1/20 0.43
THRB P10828 1/20 0.43
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL3336035 0.90 NR1H2 (0.50) HPGDKDM4EPKMGPR119RECQL
SCHEMBL6156705 0.87 GPR119 (0.53) HPGDKDM4EPKMGPR119
SCHEMBL5190669 0.85 HPGD (0.51) HPGDKDM4EPKMGPR119RECQL
SCHEMBL17271595 0.85 HPGD (0.50) HPGDKDM4EPKMGPR119RECQL
SCHEMBL31690406 0.84 HPGD (0.46) HPGDKDM4EPKMGPR119RECQL
SCHEMBL5190671 0.84 KDM4E (0.52) HPGDKDM4EPKMGPR119RECQL
SCHEMBL27417726 0.84 HPGD (0.50) HPGDKDM4EPKMGPR119RECQL
SCHEMBL6402850 0.83 GPR119 (0.51) HPGDGPR119EPHX1
SCHEMBL20656863 0.82 HPGD (0.49) HPGDKDM4EPKMGPR119RECQL
SCHEMBL4105386 0.82 HPGD (0.49) HPGDKDM4EPKMGPR119RECQL

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

“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.