SCHEMBL5776263

SCHEMBL5776263

CC1(c2ccccc2Cl)CC(Nc2cc(Cl)cc(Cl)c2)C(=O)O1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 3/20 0.33
GRIN2A Q12879 3/20 0.33
GAA P10253 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
STK10 O94804 1/20 0.33
GSK3B P49841 1/20 0.33
SLK Q9H2G2 1/20 0.33
SLC6A4 P31645 2/20 0.33
OPRK1 P41145 1/20 0.33
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
LMNA P02545 1/20 0.33
OPRM1 P35372 1/20 0.33
GRIN2B Q13224 1/20 0.33
CACNA1C Q13936 1/20 0.33
GRIN2C Q14957 1/20 0.33
GRIN3A Q8TCU5 1/20 0.33
PGR P06401 6/20 0.32
MAPK13 O15264 1/20 0.32

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
SCHEMBL5777448 0.89 GRIN2B (0.37) GAAKDM4EALDH1A1GRIN2BPGR
SCHEMBL5777654 0.86 NFKB1 (0.36) KDM4EALDH1A1SLC6A4SMN1; SMN2TRPV1
SCHEMBL5774608 0.86 STK10 (0.39) GAAALDH1A1STK10GSK3BSLK
SCHEMBL5777138 0.85 HSD11B1 (0.39) ALDH1A1GSK3BLMNAGRIN2BMEN1
SCHEMBL5775030 0.81 HTR6 (0.34) ALDH1A1GSK3BSLC6A4PGRTRPV1
SCHEMBL5775190 0.81 GSK3B (0.35) GSK3BPGR
SCHEMBL5775758 0.81 HSD11B1 (0.38) GSK3BSLC6A4GRIN2BPGRTRPV1
SCHEMBL5776176 0.81 DDB1 (0.36) ALDH1A1GRIN2BPGRTRPV1MEN1
SCHEMBL5775142 0.78 HTR6 (0.38) ALDH1A1LMNAPGRMAPT
SCHEMBL5777951 0.78 HTR6 (0.38) PGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1406888-B1 SUBSTITUTED Y-LACTONE COMPOUNDS SERVING AS NMDA ANTAGONISTS GRUENENTHAL GMBH (DE) 2006-05-24 EP claimed
US-6956055-B2 Substituted γ-lactone compounds as NMDA-antagonists GRUNENTHAL GMBH (DE) 2005-10-18 US claimed
US-20040171677-A1 Substituted gamma-lactone compounds as NMDA-antagonists GRUNENTHAL GMBH (DE) 2004-09-02 US claimed
EP-1406888-A1 SUBSTITUTED $G(G)-LACTONE COMPOUNDS SERVING AS NMDA ANTAGONISTS Grünenthal GmbH (DE) 2004-04-14 EP claimed
WO-2003004483-A1 SUBSTITUTED $G(G)-LACTONE COMPOUNDS SERVING AS NMDA ANTAGONISTS Grünenthal GmbH (DE) 2003-01-16 WO claimed
EP-1406888-B1 SUBSTITUTED Y-LACTONE COMPOUNDS SERVING AS NMDA ANTAGONISTS GRUENENTHAL GMBH (DE) 2006-05-24 EP disclosed
US-6956055-B2 Substituted γ-lactone compounds as NMDA-antagonists GRUNENTHAL GMBH (DE) 2005-10-18 US disclosed
US-20040171677-A1 Substituted gamma-lactone compounds as NMDA-antagonists GRUNENTHAL GMBH (DE) 2004-09-02 US disclosed
EP-1406888-A1 SUBSTITUTED $G(G)-LACTONE COMPOUNDS SERVING AS NMDA ANTAGONISTS Grünenthal GmbH (DE) 2004-04-14 EP disclosed
WO-2003004483-A1 SUBSTITUTED $G(G)-LACTONE COMPOUNDS SERVING AS NMDA ANTAGONISTS Grünenthal GmbH (DE) 2003-01-16 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-20040171677-A1 Substituted gamma-lactone compounds as NMDA-antagonists GRIN1, GRIN3A, GRIK5 GRIN1 1/4885GRIN2A 4/4885GAA 771/4885

“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.