SCHEMBL5773899

SCHEMBL5773899

COc1ccc(OC)c(C2(C)CC(Nc3ccc(C(F)(F)F)cn3)C(=O)O2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR6 P51684 1/20 0.43
HCRTR1 O43613 6/20 0.42
HCRTR2 O43614 5/20 0.40
DDB1 Q16531 1/20 0.39
CRBN Q96SW2 1/20 0.39
GAA P10253 3/20 0.37
MAPT P10636 2/20 0.37
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 2/20 0.36
LMNA P02545 2/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MEN1 O00255 1/20 0.36
FPR2 P25090 1/20 0.34
SCN9A Q15858 1/20 0.34
ITGB1 P05556 1/20 0.34
ITGA4 P13612 1/20 0.34
CSNK1D P48730 1/20 0.34

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
SCHEMBL5775789 0.86 HPGD (0.41) GAAMAPTKMT2AKDM4ELMNA
SCHEMBL5775647 0.85 CCR6 (0.43) CCR6HCRTR1HCRTR2DDB1CRBN
SCHEMBL6153378 0.83 ROCK2 (0.37) GAAKMT2AKDM4ESMN1; SMN2HSD17B10
SCHEMBL6152589 0.83 ALDH1A1 (0.41) HCRTR1HCRTR2GAAMAPTKMT2A
SCHEMBL6292491 0.81 HSD17B10 (0.35) GAAMAPTKMT2AKDM4ELMNA
SCHEMBL6152439 0.79 HPGD (0.39) GAAMAPTKMT2AKDM4ELMNA
SCHEMBL5775592 0.76 KDM4E (0.40) GAAMAPTKMT2AKDM4ELMNA
SCHEMBL5774622 0.76 MEN1 (0.42) MAPTKMT2AKDM4EMAPK1MEN1
SCHEMBL5776589 0.75 TP53 (0.41) GAAMAPTKMT2AKDM4ELMNA
SCHEMBL5772617 0.72 NPC1 (0.35) GAAMAPTKMT2AKDM4EMAPK1

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 CCR6 4683/4885HCRTR1 968/4885HCRTR2 649/4885

“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.