SCHEMBL5775032

SCHEMBL5775032

COc1ccccc1C1(C)CC(Nc2cnccn2)C(=O)O1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.42
ROCK2 O75116 1/20 0.38
KMT2A Q03164 5/20 0.35
MEN1 O00255 4/20 0.35
NOTUM Q6P988 1/20 0.34
LMNA P02545 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
POLB P06746 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
CYP1A2 P05177 1/20 0.33
CHEK1 O14757 1/20 0.33
HCRTR1 O43613 1/20 0.33
NPY5R Q15761 1/20 0.33
AKR1B1 P15121 1/20 0.33
ALDH1A1 P00352 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32

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
SCHEMBL5776246 0.88 SMN1; SMN2 (0.43) KDM4EKMT2AMEN1LMNAL3MBTL1
SCHEMBL6153378 0.88 ROCK2 (0.37) KDM4EROCK2KMT2AMEN1L3MBTL1
SCHEMBL5775523 0.84 KDM4E (0.35) KDM4EKMT2APOLBSMN1; SMN2CYP1A2
SCHEMBL6152589 0.80 ALDH1A1 (0.41) KDM4EKMT2AMEN1LMNASMN1; SMN2
SCHEMBL6152061 0.77 LMNA (0.41) KDM4EROCK2KMT2AMEN1LMNA
SCHEMBL5778229 0.76 HCRTR1 (0.33) HCRTR1NPY5RAKR1B1ALDH1A1HDAC3
SCHEMBL5774783 0.76 MAPT (0.34) KDM4EKMT2AMEN1LMNAL3MBTL1
SCHEMBL5775571 0.75 PDE4D (0.40) KDM4EKMT2AMEN1LMNAL3MBTL1
SCHEMBL6152055 0.75 KMT2A (0.32) KMT2APOLBAKR1B1ALDH1A1HDAC3
SCHEMBL5776501 0.71 PDGFRB (0.34) ROCK2KMT2AMEN1LMNAPOLB

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 1548/4885ROCK2 4345/4885KMT2A 1135/4885

“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.