SCHEMBL2897394

SCHEMBL2897394

COCC1CN(C(=O)OC(C)(C)C)CCC1OC

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 2/20 0.43
HPGD P15428 1/20 0.43
ALDH1A1 P00352 2/20 0.42
MAPT P10636 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
RECQL P46063 1/20 0.41
EPHX1 P07099 1/20 0.41
NR1H2 P55055 1/20 0.40
USP2 O75604 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GPR119 Q8TDV5 1/20 0.39
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
KDM4E B2RXH2 1/20 0.38
THRB P10828 1/20 0.38
PTPN2 P17706 1/20 0.38
PTPN1 P18031 1/20 0.38
PTPN6 P29350 1/20 0.38

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
SCHEMBL2903697 0.87 NR1H2 (0.48) PDE4BHPGDALDH1A1MAPTMEN1
SCHEMBL2346218 0.87 HPGD (0.43) PDE4BHPGDALDH1A1MAPTMEN1
SCHEMBL2902193 0.84 PDE4B (0.44) PDE4BHPGDALDH1A1MAPTMEN1
SCHEMBL9938535 0.83 PDE4B (0.43) PDE4BHPGDALDH1A1MAPTMEN1
SCHEMBL31391778 0.83 HPGD (0.44) PDE4BHPGDALDH1A1MAPTMEN1
SCHEMBL12356485 0.82 HPGD (0.43) PDE4BHPGDALDH1A1MAPTMEN1
SCHEMBL15112857 0.81 HPGD (0.48) PDE4BHPGDALDH1A1MAPTMEN1
SCHEMBL14663010 0.81 HPGD (0.48) PDE4BHPGDALDH1A1MAPTMEN1
SCHEMBL16892198 0.81 NR1H2 (0.49) HPGDALDH1A1MAPTMEN1KMT2A
SCHEMBL3435726 0.81 NR1H2 (0.49) HPGDALDH1A1MAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021133809-A1 INHIBITORS OF MUTANT FORMS OF EGFR BLUEPRINT MEDICINES CORPORATION (US) 2021-07-01 WO disclosed
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 PDE4B 1100/4885HPGD 2904/4885ALDH1A1 2871/4885

“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.