SCHEMBL5775592

SCHEMBL5775592

COc1ccc(OC)c(C2(C)CC(Nc3ncc(C)cc3Br)C(=O)O2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.40
MAPT P10636 1/20 0.40
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
KMT2A Q03164 1/20 0.34
IGF1R P08069 3/20 0.33
NPC1 O15118 1/20 0.33
MITF O75030 1/20 0.33
TP53 P04637 1/20 0.33
GAA P10253 1/20 0.33
RAB9A P51151 1/20 0.33
ALDH1A1 P00352 1/20 0.32
CASP1 P29466 1/20 0.32
CASP7 P55210 1/20 0.32
HSD17B10 Q99714 1/20 0.32
GRIN1 Q05586 2/20 0.31
GRIN2B Q13224 2/20 0.31
TDP2 O95551 1/20 0.31
LMNA P02545 2/20 0.31
TSHR P16473 2/20 0.31

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
SCHEMBL5774783 0.89 MAPT (0.34) KDM4EMAPTMEN1KMT2AIGF1R
SCHEMBL5778037 0.82 MAPT (0.41) MAPTMEN1KMT2ANPC1MITF
SCHEMBL6153378 0.79 ROCK2 (0.37) KDM4EMEN1POLBKMT2AGAA
SCHEMBL5775789 0.79 HPGD (0.41) KDM4EMAPTMEN1POLBKMT2A
SCHEMBL6152681 0.77 PDK2 (0.31) KDM4EMAPTIGF1R
SCHEMBL6152589 0.77 ALDH1A1 (0.41) KDM4EMAPTMEN1KMT2ANPC1
SCHEMBL6292491 0.77 HSD17B10 (0.35) KDM4EMAPTMEN1KMT2AGAA
SCHEMBL5772617 0.76 NPC1 (0.35) KDM4EMAPTMEN1KMT2ANPC1
SCHEMBL5773899 0.76 CCR6 (0.43) KDM4EMAPTMEN1POLBKMT2A
SCHEMBL5776589 0.75 TP53 (0.41) KDM4EMAPTMEN1POLBKMT2A

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 KDM4E 1548/4885MAPT 1864/4885MEN1 748/4885

“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.