SCHEMBL5777831

SCHEMBL5777831

COc1ccccc1C1(C)CC(Nc2cccnc2Cl)C(=O)O1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 5/20 0.40
NPC1 O15118 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KMT2A Q03164 2/20 0.39
RAB9A P51151 2/20 0.39
MEN1 O00255 1/20 0.39
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
ALDH1A1 P00352 4/20 0.34
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 2/20 0.34
STK10 O94804 1/20 0.34
SLK Q9H2G2 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
NFE2L2 Q16236 1/20 0.33
MAPK1 P28482 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
SCHEMBL5775523 0.85 KDM4E (0.35) POLBKMT2AALDH1A1KDM4ESTK10
SCHEMBL5776246 0.83 SMN1; SMN2 (0.43) NPC1L3MBTL1KMT2ARAB9AMEN1
SCHEMBL5774608 0.79 STK10 (0.39) KMT2AALDH1A1STK10SLKCACNA1B
SCHEMBL5775032 0.78 KDM4E (0.42) POLBL3MBTL1KMT2AMEN1ALDH1A1
SCHEMBL6152061 0.78 LMNA (0.41) POLBNPC1L3MBTL1KMT2ARAB9A
SCHEMBL6152055 0.74 KMT2A (0.32) POLBKMT2AALDH1A1MAPK1GFER
SCHEMBL5774783 0.73 MAPT (0.34) NPC1L3MBTL1KMT2ARAB9AMEN1
SCHEMBL5778229 0.73 HCRTR1 (0.33) NPC1RAB9ATP53MAPTALDH1A1
SCHEMBL6152589 0.73 ALDH1A1 (0.41) NPC1KMT2ARAB9AMEN1MAPT
SCHEMBL5775571 0.71 PDE4D (0.40) POLBNPC1L3MBTL1KMT2ARAB9A

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 POLB 4263/4885NPC1 3513/4885L3MBTL1 2385/4885

“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.