SCHEMBL5869072

SCHEMBL5869072

CCOC(=O)c1cccc(-n2cc(C)nc2C)c1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.55
SMN1; SMN2 Q16637 3/20 0.50
ALDH1A1 P00352 2/20 0.50
KDM4E B2RXH2 1/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
LMNA P02545 1/20 0.50
ALOX5 P09917 1/20 0.48
ATM Q13315 1/20 0.48
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
GAA P10253 1/20 0.47
HPGD P15428 1/20 0.47
ESRRA P11474 1/20 0.47
GABRA2 P47869 1/20 0.47
GABRB2 P47870 1/20 0.47
TP53 P04637 1/20 0.47
PRKCA P17252 1/20 0.46
GSK3B P49841 1/20 0.46

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
SCHEMBL5868768 0.79 ALOX15 (0.52) ALOX15SMN1; SMN2ALDH1A1LMNAALOX5
SCHEMBL17336583 0.76 ALOX15 (0.52) ALOX15SMN1; SMN2ALDH1A1LMNAALOX5
SCHEMBL5868918 0.76 GPR119 (0.42) ALOX15ALDH1A1KDM4E
SCHEMBL9454804 0.75 SMN1; SMN2 (0.54) ALOX15SMN1; SMN2ALDH1A1KDM4ENPC1
SCHEMBL7830321 0.75 SMN1; SMN2 (0.56) ALOX15SMN1; SMN2ALDH1A1LMNAALOX5
SCHEMBL7823334 0.75 ALDH1A1 (0.67) ALOX15SMN1; SMN2ALDH1A1KDM4ELMNA
SCHEMBL110276 0.74 CYP4F2 (0.65) SMN1; SMN2ALDH1A1KDM4ENPC1RAB9A
SCHEMBL28537556 0.74 LMNA (0.48) ALOX15SMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL12843980 0.74 ALOX15 (0.52) ALOX15SMN1; SMN2ALDH1A1LMNAALOX5
SCHEMBL12135112 0.73 MAPT (0.49) ALOX15SMN1; SMN2ALDH1A1LMNAALOX5

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 18 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
CN-1199954-C Benzodiazepine derivatives HOFFMANN LA ROCHE (CH) 2005-05-04 CN disclosed
CN-1195522-C Benzodiazepine derivatives usable as parental metabolic glutamate receptor antagonist HOFFMANN LA ROCHE (CH) 2005-04-06 CN 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
CN-1379764-A Benzodiazepine derivatives HOFFMANN LA ROCHE (CH) 2002-11-13 CN disclosed
CN-1379765-A Benzodiazepine derivatives usable as parental metabolic glutamate receptor antagonist HOFFMANN LA ROCHE (CH) 2002-11-13 CN 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 ALOX15 3373/4885SMN1; SMN2 4427/4885ALDH1A1 637/4885
US-20050234048-A1 Glutamate receptor antagonists GRM3, GRM1, GRM2 ALOX15 3112/4885SMN1; SMN2 4608/4885ALDH1A1 1025/4885
US-20060148791-A1 Glutamate receptor antagonists GRM3, GRM1, GRM2 ALOX15 3112/4885SMN1; SMN2 4608/4885ALDH1A1 1025/4885

“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.