SCHEMBL5776425

SCHEMBL5776425

Cc1cc(Cl)ccc1NC1CC(C)(c2ccccc2)OC1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.37
NPC1 O15118 1/20 0.37
KMT2A Q03164 3/20 0.35
HTT P42858 3/20 0.35
NPSR1 Q6W5P4 2/20 0.35
MEN1 O00255 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
GAA P10253 2/20 0.35
LMNA P02545 3/20 0.35
POLB P06746 1/20 0.35
TP53 P04637 3/20 0.35
CHRNA1 P02708 2/20 0.34
CHRNG P07510 2/20 0.34
CHRNB1 P11230 2/20 0.34
CHRNB2 P17787 2/20 0.34
SLC6A2 P23975 2/20 0.34
CHRNB4 P30926 2/20 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
SCHEMBL5773564 0.93 CHRNA1 (0.35) HSD11B1L3MBTL1NPC1KMT2AMEN1
SCHEMBL5778899 0.84 THRB (0.38) HSD11B1NPC1KMT2AMEN1GAA
SCHEMBL5776022 0.83 NPSR1 (0.41) HSD11B1NPC1KMT2AHTTNPSR1
SCHEMBL5777244 0.82 P2RX7 (0.36) HSD11B1NPC1KMT2ACHRNA1CHRNG
SCHEMBL5777138 0.81 HSD11B1 (0.39) HSD11B1KMT2AHTTNPSR1MEN1
SCHEMBL5777514 0.80 KMT2A (0.38) HSD11B1L3MBTL1NPC1KMT2ANPSR1
SCHEMBL5774728 0.80 HTR6 (0.40) HSD11B1L3MBTL1HTTNPSR1GAA
SCHEMBL5778953 0.80 ALDH1A1 (0.41) HSD11B1L3MBTL1KMT2AMEN1GAA
SCHEMBL5774115 0.79 THRB (0.36) HSD11B1NPC1KMT2ALMNAPOLB
SCHEMBL5773915 0.79 HSD11B1 (0.43) HSD11B1NPC1KMT2AMEN1CHRNA1

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 HSD11B1 2034/4885L3MBTL1 2385/4885NPC1 3513/4885

“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.