SCHEMBL4615748

SCHEMBL4615748

CC(C)(C)OC(=O)N1CCN(c2cccc(NCc3ccccc3F)c2CN)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.47
GPR119 Q8TDV5 4/20 0.47
KDM1A O60341 1/20 0.43
KDM1B Q8NB78 1/20 0.43
KMT2A Q03164 3/20 0.42
ATM Q13315 1/20 0.42
TP53 P04637 1/20 0.42
THRB P10828 1/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CXCR2 P25025 1/20 0.41
GAA P10253 1/20 0.40
ALOX15 P16050 1/20 0.40
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
BACE1 P56817 1/20 0.40
SMARCA2 P51531 1/20 0.39

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
SCHEMBL4615807 0.94 GPR119 (0.49) ACHEGPR119KDM1AKDM1BKMT2A
SCHEMBL4615582 0.90 ACHE (0.48) ACHEKMT2ATP53ALDH1A1MAPT
SCHEMBL4615828 0.89 ACHE (0.47) ACHEKDM1AKMT2AKDM4EALDH1A1
SCHEMBL4616202 0.88 ACHE (0.43) ACHEGPR119ALDH1A1MAPTSMN1; SMN2
SCHEMBL4613496 0.86 ACHE (0.56) ACHEKMT2AMAPTSMN1; SMN2BACE1
SCHEMBL27667648 0.86 KMT2A (0.41) GPR119KMT2AATMTP53KDM4E
SCHEMBL4615353 0.86 ACHE (0.45) ACHEKDM1AMAPTSMN1; SMN2
SCHEMBL4614036 0.86 ACHE (0.47) ACHEKDM1AKMT2ATP53KDM4E
SCHEMBL14253763 0.85 TP53 (0.41) ACHEGPR119KMT2ATP53THRB
SCHEMBL4614667 0.85 ACHE (0.43) ACHEGPR119KMT2AMAPTSMN1; SMN2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7365063-B2 Quinazolinone and benzoxazinone derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2008-04-29 US disclosed
EP-1708713-B1 1-BENZYL-5-PIPERAZIN-1-YL-3,4 DIHYDRO-1H-QUINAZOLIN-2-ONE DERIVATIVES AND THE RESPECTIVE 1H-BENZO(1,2,6)THIADIAZINE-2,2-DIOXIDE AND 1,4-DIHYDRO-BENZO(D)(1,3)OXAZIN-2-ONE DERIVATIVES AS MODULATORS OF THE 5-HYDROXYTRYPTAMINE RECEPTOR (5-HT) FOR THE TREATMENT OF DISEASES OF THE CENTRAL NERVOUS SYSTEM HOFFMANN LA ROCHE (CH) 2008-03-12 EP disclosed
US-20070149510-A1 Quinazolinone and benzoxazinone derivatives and uses thereof ROCHE PALO ALTO LLC 2007-06-28 US disclosed
US-7196087-B2 Quinazolinone and benzoxazinone derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2007-03-27 US disclosed
EP-1708713-A1 1-BENZYL-5-PIPERAZIN-1-YL-3,4 DIHYDRO-1H-QUINAZOLIN-2-ONE DERIVATIVES AND THE RESPECTIVE 1H-BENZO(1,2,6)THIADIAZINE-2,2-DIOXIDE AND 1,4-DIHYDRO-BENZO(D)(1,3)OXAZIN-2-ONE DERIVATIVES AS MODULATORS OF THE 5-HYDROXYTRYPTAMINE RECEPTOR (5-HT) FOR THE TREATMENT OF DISEASES OF THE CENTRAL NERVOUS SYSTEM F. Hoffman-la Roche AG (CH) 2006-10-11 EP disclosed
WO-2005067933-A1 1-BENZYL-5-PIPERAZIN-1-YL-3,4 DIHYDRO-1H-QUINAZOLIN-2-ONE DERIVATIVES AND THE RESPECTIVE 1H-BENZO(1,2,6)THIADIAZINE-2,2-DIOXIDE AND 1,4-DIHYDRO-BENZO(D) (1,3)OXAZIN-2-ONE DERIVATIVES AS MODULATORS OF THE 5-HYDROXYTRYPTAMINE RECEPTOR (5-HT) FOR THE TREATMENT OF DISEASES OF THE CENTRAL NERVOUS SYSTEM F. HOFFMANN-LA ROCHE AG (CH) 2005-07-28 WO disclosed
US-20050165001-A1 Quinazolinone and benzoxazinone derivatives and uses thereof ROCHE PALO ALTO LLC 2005-07-28 US 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 (2 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-20070149510-A1 Quinazolinone and benzoxazinone derivatives and uses thereof NQO2, MLX, CYP4X1 ACHE 1031/4885GPR119 1188/4885KDM1A 574/4885
US-20050165001-A1 Quinazolinone and benzoxazinone derivatives and uses thereof NQO2, MLX, CYP4X1 ACHE 1031/4885GPR119 1188/4885KDM1A 574/4885

“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.