SCHEMBL5774622

SCHEMBL5774622

COc1ccc(OC)c(C2(C)CC(Nc3ccc4cccc(O)c4n3)C(=O)O2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.42
KMT2A Q03164 7/20 0.42
PDE4D Q08499 4/20 0.42
METAP1 P53582 4/20 0.37
NPC1 O15118 4/20 0.36
AGTR1 P30556 2/20 0.36
HSP90AA1 P07900 1/20 0.36
ECE2 P0DPD6 1/20 0.36
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
PDE10A Q9Y233 1/20 0.34
RAB9A P51151 2/20 0.34
HDAC4 P56524 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
ATM Q13315 1/20 0.34
POLB P06746 1/20 0.33
OPRK1 P41145 1/20 0.33
TSHR P16473 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
SCHEMBL5775571 0.89 PDE4D (0.40) MEN1KMT2APDE4DMETAP1NPC1
SCHEMBL6292491 0.80 HSD17B10 (0.35) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL6152517 0.80 METAP1 (0.34) KMT2APDE4DMETAP1NPC1KDM4E
SCHEMBL6152589 0.79 ALDH1A1 (0.41) MEN1KMT2ANPC1KDM4EALDH1A1
SCHEMBL5778037 0.78 MAPT (0.41) MEN1KMT2ANPC1ALDH1A1MAPT
SCHEMBL6153378 0.77 ROCK2 (0.37) MEN1KMT2AKDM4EALDH1A1POLB
SCHEMBL5776589 0.73 TP53 (0.41) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL5775592 0.70 KDM4E (0.40) MEN1KMT2ANPC1KDM4EALDH1A1
SCHEMBL5772617 0.70 NPC1 (0.35) MEN1KMT2ANPC1KDM4EALDH1A1
SCHEMBL6581680 0.69 ALDH1A1 (0.36) MEN1KMT2AKDM4EALDH1A1MAPT

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 MEN1 748/4885KMT2A 1135/4885PDE4D 3003/4885

“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.