SCHEMBL6152667

SCHEMBL6152667

CCCc1nc(NC2CC(C)(c3cc(OC)cc(OC)c3)OC2=O)ncc1C(=O)OCC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.42
JUN P05412 5/20 0.38
NFKB1 P19838 5/20 0.38
NFKB2 Q00653 5/20 0.38
RELA Q04206 5/20 0.38
MAPT P10636 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
LMNA P02545 2/20 0.36
TSHR P16473 1/20 0.36
DPP4 P27487 2/20 0.35
ALDH1A1 P00352 6/20 0.35
KDM4E B2RXH2 2/20 0.35
NPC1 O15118 2/20 0.35
SIRT5 Q9NXA8 1/20 0.35
GAA P10253 1/20 0.35
RAB9A P51151 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HPGD P15428 1/20 0.33
FOS P01100 3/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL6153351 0.92 FLT3 (0.33) HSP90AA1GAA
SCHEMBL6153081 0.89 HDAC3 (0.31) GAA
SCHEMBL8398081 0.68 HSP90AA1 (0.69) HSP90AA1JUNNFKB1NFKB2RELA
SCHEMBL5775976 0.66 GAA (0.34) LMNATSHRGAA
SCHEMBL6288861 0.66 ALOX15 (0.39) MAPTSMN1; SMN2LMNATSHRALDH1A1
SCHEMBL6291829 0.64 JAK2 (0.40) JUNNFKB1NFKB2RELAMAPT
SCHEMBL6153187 0.64 MAPT (0.38) HSP90AA1MAPTSMN1; SMN2LMNAALDH1A1
SCHEMBL6152574 0.64 SYK (0.35) JUNNFKB1NFKB2RELALMNA
SCHEMBL1668690 0.64 RAB9A (0.53) JUNNFKB1NFKB2RELAMAPT
SCHEMBL6288883 0.63 SLC26A6 (0.37) JUNNFKB1NFKB2RELAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6956055-B2 Substituted γ-lactone compounds as NMDA-antagonists GRUNENTHAL GMBH (DE) 2005-10-18 US claimed
US-6943181-B2 Use of substituted gamma-lactone compounds as pharmaceutical preparations GRUNENTHAL GMBH (DE) 2005-09-13 US claimed
EP-1406610-B1 USE OF SUBSTITUTED GAMMA-LACTONE COMPOUNDS AS MEDICAMENTS GRUENENTHAL GMBH (DE) 2005-01-26 EP claimed
US-20040176394-A1 Use of substituted gamma-lactone compounds as pharmaceutical preparations GRUNENTHAL GMBH (DE) 2004-09-09 US claimed
US-20040171677-A1 Substituted gamma-lactone compounds as NMDA-antagonists GRUNENTHAL GMBH (DE) 2004-09-02 US claimed
US-6956055-B2 Substituted γ-lactone compounds as NMDA-antagonists GRUNENTHAL GMBH (DE) 2005-10-18 US disclosed
US-6943181-B2 Use of substituted gamma-lactone compounds as pharmaceutical preparations GRUNENTHAL GMBH (DE) 2005-09-13 US disclosed
US-20040176394-A1 Use of substituted gamma-lactone compounds as pharmaceutical preparations GRUNENTHAL GMBH (DE) 2004-09-09 US disclosed
US-20040171677-A1 Substituted gamma-lactone compounds as NMDA-antagonists GRUNENTHAL GMBH (DE) 2004-09-02 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 (2 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-20040171677-A1 Substituted gamma-lactone compounds as NMDA-antagonists GRIN1, GRIN3A, GRIK5 HSP90AA1 3017/4885JUN 3613/4885NFKB1 1056/4885
US-20040176394-A1 Use of substituted gamma-lactone compounds as pharmaceutical preparations BACE1, MYC, APP HSP90AA1 349/4885JUN 1212/4885NFKB1 726/4885

“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.