SCHEMBL5774008

SCHEMBL5774008

Cc1ccc(NC2CC(C)(c3cccc4ccccc34)OC2=O)c(Br)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.37
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
TP53 P04637 3/20 0.33
SMN1; SMN2 Q16637 4/20 0.33
NPC1 O15118 4/20 0.33
RAB9A P51151 4/20 0.33
MAPT P10636 5/20 0.33
RXFP1 Q9HBX9 1/20 0.33
P2RX5 Q93086 1/20 0.32
P2RX4 Q99571 1/20 0.32
P2RX7 Q99572 1/20 0.32
P2RX2 Q9UBL9 1/20 0.32
DHFR P00374 1/20 0.32
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
NFKB1 P19838 1/20 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
SCHEMBL6152681 0.83 PDK2 (0.31) ATMKDM4EMAPTDHFR
SCHEMBL5774960 0.80 MAPK14 (0.39) KDM4EMEN1KMT2ANPC1RAB9A
SCHEMBL6153107 0.80 RAB9A (0.35) KDM4EKMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL5777360 0.77 RAB9A (0.35) MEN1KMT2ATP53SMN1; SMN2NPC1
SCHEMBL5777654 0.77 NFKB1 (0.36) KDM4EMEN1KMT2ATP53SMN1; SMN2
SCHEMBL5774660 0.75 KDM4E (0.33) KDM4EMEN1KMT2ASMN1; SMN2MAPT
SCHEMBL6153490 0.71 ELANE (0.32) KDM4EMEN1KMT2ASMN1; SMN2MAPT
SCHEMBL5778899 0.70 THRB (0.38) KDM4EMEN1KMT2ATP53SMN1; SMN2
SCHEMBL5774783 0.67 MAPT (0.34) KDM4EMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL6152517 0.65 METAP1 (0.34) KDM4EKMT2ATP53SMN1; SMN2NPC1

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 ATM 2674/4885KDM4E 1548/4885MEN1 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.