SCHEMBL5869022

SCHEMBL5869022

CC(C)(C)OC(=O)Nc1ccc(C2CC2)cc1NC(=O)CC(=O)c1cccc(-n2ccnc2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4D Q6B0I6 1/20 0.41
ABL1 P00519 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GPR119 Q8TDV5 1/20 0.38
ABCB1 P08183 2/20 0.37
CYP3A4 P08684 2/20 0.37
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
CCKBR P32239 1/20 0.36
ROCK2 O75116 2/20 0.36
S1PR1 P21453 1/20 0.35
CYP2C8 P10632 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2B6 P20813 1/20 0.35
CYP2C19 P33261 1/20 0.35
BRD4 O60885 1/20 0.35
HDAC1 Q13547 1/20 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
SCHEMBL6434658 0.88 L3MBTL1 (0.45) KDM4DABL1L3MBTL1PDE4APDE4B
SCHEMBL5869001 0.85 PORCN (0.42) KDM4DABL1L3MBTL1CYP3A4PDE4A
SCHEMBL5868843 0.84 CYP17A1 (0.42) KDM4DABL1L3MBTL1CYP3A4PDE4A
SCHEMBL5868817 0.83 ABL1 (0.40) KDM4DABL1L3MBTL1CYP3A4PDE4A
SCHEMBL5868770 0.83 ABL1 (0.42) KDM4DABL1L3MBTL1CYP3A4PDE4A
SCHEMBL5869020 0.82 ABL1 (0.41) KDM4DABL1L3MBTL1PDE4APDE4B
SCHEMBL5868854 0.82 ABL1 (0.41) KDM4DABL1L3MBTL1CYP3A4PDE4A
SCHEMBL5868798 0.82 LMNA (0.41) KDM4DABL1L3MBTL1CYP3A4PDE4A
SCHEMBL6433115 0.81 ABL1 (0.45) KDM4DABL1L3MBTL1PDE4APDE4B
SCHEMBL6434069 0.81 ABL1 (0.44) KDM4DABL1L3MBTL1GPR119PDE4A

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
US-7151098-B2 Glutamate receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2006-12-19 US disclosed
US-20060148791-A1 Glutamate receptor antagonists ADAM GEO 2006-07-06 US disclosed
US-7018998-B2 Glutamate receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2006-03-28 US disclosed
US-6960578-B2 Glutamate receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2005-11-01 US disclosed
US-20050234048-A1 Glutamate receptor antagonists ADAM GEO 2005-10-20 US disclosed
EP-1224175-B1 BENZODIAZEPINE DERIVATIVES AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2004-03-17 EP disclosed
US-20030092677-A1 Glutamate receptor antagonists ADAM GEO (DE) 2003-05-15 US disclosed
US-6509328-B1 Metabotropic glutamate receptor antagonists and accordingly are useful for the treatment of a range of neurological disorders, including psychosis, schizophrenia, Alzheimer's and others HOFFMANN-LA ROCHE INC. 2003-01-21 US disclosed
EP-1224175-A2 BENZODIAZEPINE DERIVATIVES AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2002-07-24 EP disclosed
WO-2001029012-A2 BENZODIAZEPINE DERIVATIVES AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2001-04-26 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 (3 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-20030092677-A1 Glutamate receptor antagonists GRM1, GRM3, GRM2 KDM4D 1378/4885ABL1 2623/4885L3MBTL1 2525/4885
US-20050234048-A1 Glutamate receptor antagonists GRM3, GRM1, GRM2 KDM4D 936/4885ABL1 1925/4885L3MBTL1 2368/4885
US-20060148791-A1 Glutamate receptor antagonists GRM3, GRM1, GRM2 KDM4D 936/4885ABL1 1925/4885L3MBTL1 2368/4885

“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.