SCHEMBL5868928

SCHEMBL5868928

CC(C)(C)OC(=O)CC(=O)c1ccnc(-n2ccnc2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
LOXL2 Q9Y4K0 1/20 0.43
HTT P42858 3/20 0.40
CYP3A4 P08684 6/20 0.39
CYP1A2 P05177 5/20 0.39
CYP2D6 P10635 5/20 0.39
ALOX15 P16050 3/20 0.39
HSD17B10 Q99714 3/20 0.39
CLK4 Q9HAZ1 2/20 0.39
CD38 P28907 1/20 0.39
CYP2C19 P33261 4/20 0.38
APEX1 P27695 1/20 0.38
MAPK1 P28482 1/20 0.38
MAPT P10636 4/20 0.38
TP53 P04637 1/20 0.38
GPR119 Q8TDV5 1/20 0.38
NPSR1 Q6W5P4 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL5868879 0.81 L3MBTL1 (0.51) L3MBTL1HTTCYP3A4MAPTGPR119
SCHEMBL5869056 0.76 CYP17A1 (0.44) LRRK2L3MBTL1CYP3A4CYP1A2CYP2D6
SCHEMBL14976851 0.75 TAS1R3 (0.43)
SCHEMBL12169414 0.74 ADH5 (0.53) LRRK2LOXL2CYP3A4CYP1A2CYP2D6
SCHEMBL5869123 0.74 KCNQ4 (0.38) LRRK2L3MBTL1HTTCYP3A4CYP1A2
SCHEMBL5176902 0.74 PLOD2 (0.53) L3MBTL1CYP3A4CYP1A2CYP2D6CYP2C19
SCHEMBL5558609 0.73 ACACB (0.47) CYP3A4CYP1A2CYP2D6CYP2C19GPR119
SCHEMBL5868956 0.72 MYC (0.40) GPR119ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL5868859 0.72 LOXL2 (0.50) LRRK2LOXL2HTTCYP3A4CYP1A2
SCHEMBL25135669 0.71 CD38 (0.49) LRRK2HTTCYP2D6CD38CYP2C19

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 14 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
EP-1224174-B1 BENZODIAZEPINE DERIVATIVES AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2003-09-17 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
EP-1224174-A2 BENZODIAZEPINE DERIVATIVES AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2002-07-24 EP disclosed
US-6407094-B1 4-5-DIDEHYDRO-1,5-BENZODIAZEPIN-2-ONE DERIVATIVES; PSYCHOLOGICAL, NERVOUS SYSTEM, AND BRAIN DISORDERS; COGNITION ACTIVATORS; ALZHEIMER*S DISEASE, SCHIZOPHRENIA HOFFMANN-LA ROCHE INC. 2002-06-18 US disclosed
WO-2001029012-A2 BENZODIAZEPINE DERIVATIVES AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2001-04-26 WO disclosed
WO-2001029011-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 LRRK2 1075/4885L3MBTL1 2525/4885LOXL2 2490/4885
US-20050234048-A1 Glutamate receptor antagonists GRM3, GRM1, GRM2 LRRK2 1040/4885L3MBTL1 2368/4885LOXL2 2488/4885
US-20060148791-A1 Glutamate receptor antagonists GRM3, GRM1, GRM2 LRRK2 1040/4885L3MBTL1 2368/4885LOXL2 2488/4885

“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.