SCHEMBL2904746

SCHEMBL2904746

COC(=O)N(C)C1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.50
HSD11B1 P28845 1/20 0.49
HPGD P15428 1/20 0.49
GPR119 Q8TDV5 8/20 0.47
USP30 Q70CQ3 2/20 0.47
ALDH1A1 P00352 1/20 0.47
RECQL P46063 1/20 0.47
PTPN2 P17706 1/20 0.46
PTPN1 P18031 1/20 0.46
PTPN6 P29350 1/20 0.46
USP2 O75604 1/20 0.45
SMN1; SMN2 Q16637 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
SCHEMBL14752928 0.84 DDB1 (0.47) EPHX1HSD11B1HPGDUSP30ALDH1A1
SCHEMBL1827484 0.84 HPGD (0.51) EPHX1HPGDGPR119USP30RECQL
SCHEMBL27108296 0.84 GPR119 (0.47) EPHX1HSD11B1HPGDGPR119USP30
SCHEMBL19026787 0.83 GPR119 (0.52) EPHX1HPGDGPR119USP30RECQL
SCHEMBL16415863 0.83 EPHX1 (0.51) EPHX1HSD11B1HPGDGPR119USP30
SCHEMBL4711418 0.82 HPGD (0.55) EPHX1HPGDGPR119USP30RECQL
SCHEMBL21285788 0.82 HSD11B1 (0.69) EPHX1HSD11B1HPGDGPR119USP30
SCHEMBL1089500 0.81 HPGD (0.46) EPHX1HPGDGPR119USP30RECQL
SCHEMBL19633473 0.81 HPGD (0.54) EPHX1HPGDGPR119RECQLUSP2
SCHEMBL2424909 0.81 HPGD (0.48) EPHX1HPGDGPR119USP30RECQL

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2010506-B1 DIAZEPAN DERIVATIVES MODULATORS OF CHEMOKINE RECEPTORS HOFFMANN LA ROCHE (CH) 2010-08-04 EP disclosed
US-7632829-B2 Diazepan derivatives HOFFMANN-LA ROCHE INC. (US) 2009-12-15 US disclosed
EP-2010506-A1 DIAZEPAN DERIVATIVES MODULATORS OF CHEMOKINE RECEPTORS F. Hoffmann-Roche AG (CH) 2009-01-07 EP disclosed
WO-2007122103-A1 DIAZEPAN DERIVATIVES MODULATORS OF CHEMOKINE RECEPTORS F. HOFFMANN-LA ROCHE AG (CH) 2007-11-01 WO disclosed
US-20070249589-A1 Novel diazepan derivatives F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2007-10-25 US 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-20070249589-A1 Novel diazepan derivatives CCR3, CCR1, CCR10 EPHX1 1982/4885HSD11B1 2779/4885HPGD 2904/4885

“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.