SCHEMBL3314366

SCHEMBL3314366

CC(=O)CCN1C(C)CN(C(=O)OC(C)(C)C)CC1C

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.47
USP2 O75604 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GPR119 Q8TDV5 2/20 0.38
NAMPT P43490 1/20 0.37
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
HPGD P15428 1/20 0.36
SETD7 Q8WTS6 2/20 0.36
RECQL P46063 1/20 0.35
EPHX1 P07099 1/20 0.35
DDB1 Q16531 2/20 0.34
CRBN Q96SW2 2/20 0.34
RORC P51449 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
SCHEMBL3314363 1.00 NR1H2 (0.47) NR1H2USP2SMN1; SMN2GPR119NAMPT
SCHEMBL30199567 0.85 NR1H2 (0.44) NR1H2USP2SMN1; SMN2GPR119NAMPT
SCHEMBL10220898 0.84 NR1H2 (0.53) NR1H2USP2SMN1; SMN2GPR119NAMPT
SCHEMBL10264379 0.84 NR1H2 (0.49) NR1H2USP2SMN1; SMN2GPR119NAMPT
SCHEMBL334402 0.84 NR1H2 (0.53) NR1H2USP2SMN1; SMN2GPR119NAMPT
SCHEMBL7466688 0.83 NR1H2 (0.48) NR1H2USP2SMN1; SMN2GPR119NAMPT
SCHEMBL16246175 0.83 NR1H2 (0.48) NR1H2USP2SMN1; SMN2GPR119NAMPT
SCHEMBL29170264 0.83 NR1H2 (0.43) NR1H2USP2SMN1; SMN2GPR119NAMPT
SCHEMBL29170267 0.83 NR1H2 (0.43) NR1H2USP2SMN1; SMN2GPR119NAMPT
SCHEMBL30198901 0.83 NR1H2 (0.43) NR1H2USP2SMN1; SMN2GPR119NAMPT

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-20100105654-A1 SUBSTITUTED QUINAZOLINONE COMPOUNDS NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2010-04-29 US disclosed
US-7625909-B2 Substituted quinazolinone compounds NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2009-12-01 US disclosed
EP-1686996-A4 QUINAZOLINONE COMPOUNDS WITH REDUCED BIOACCUMULATION NOVARTIS VACCINES & DIAGNOSTIC (US) 2008-11-12 EP disclosed
US-7368453-B2 Quinazolinone compounds with reduced bioaccumulation CHIRON CORPORATION (US) 2008-05-06 US disclosed
EP-1686996-A1 QUINAZOLINONE COMPOUNDS WITH REDUCED BIOACCUMULATION CHIRON CORPORATION (US) 2006-08-09 EP disclosed
EP-1651229-A1 GUANIDINO-SUBSTITUTED QUINAZOLINONE COMPOUNDS AS MC4-R AGONISTS Chiron Corporation (US) 2006-05-03 EP disclosed
US-20050192297-A1 Quinazolinone compounds with reduced bioaccumulation CHIRON CORPORATION GLAXOSMITHKLINE 2005-09-01 US disclosed
WO-2005051391-A1 QUINAZOLINONE COMPOUNDS WITH REDUCED BIOACCUMULATION CHIRON CORPORATION (US) 2005-06-09 WO disclosed
US-20050059662-A1 Substituted quinazolinone compounds CHIRON CORPORATION 2005-03-17 US disclosed
WO-2004112793-A1 GUANIDINO-SUBSTITUTED QUINAZOLINONE COMPOUNDS AS MC4-R AGONISTS CHIRON CORPORATION (US) 2004-12-29 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-20050059662-A1 Substituted quinazolinone compounds MC4R, MC2R, MC3R NR1H2 2357/4885USP2 4676/4885SMN1; SMN2 2845/4885
US-20100105654-A1 SUBSTITUTED QUINAZOLINONE COMPOUNDS MC4R, MC5R, MC2R NR1H2 2732/4885USP2 4746/4885SMN1; SMN2 2226/4885
US-20050192297-A1 Quinazolinone compounds with reduced bioaccumulation MC4R, MC2R, MC3R NR1H2 781/4885USP2 4422/4885SMN1; SMN2 3628/4885

“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.