SCHEMBL4769152

SCHEMBL4769152

CC(C)(C)OC(=O)N1C[C@H](O)C[C@]1(C)C(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
NR1H2 P55055 1/20 0.35
EPHX2 P34913 1/20 0.34
KDM1A O60341 1/20 0.33
DDB1 Q16531 1/20 0.33
CRBN Q96SW2 1/20 0.33
USP2 O75604 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HPGD P15428 1/20 0.31
HSD11B1 P28845 1/20 0.31
RORC P51449 2/20 0.30
GRIN2B Q13224 1/20 0.30
GRIN2C Q14957 1/20 0.30
BUB1 O43683 1/20 0.30
RECQL P46063 1/20 0.30
CYP1A2 P05177 1/20 0.30
POLB P06746 1/20 0.30
CYP3A4 P08684 1/20 0.30

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
SCHEMBL15913256 1.00 CHRM2 (0.41) CHRM2CHRM1CHRM3NR1H2EPHX2
SCHEMBL3679572 1.00 CHRM2 (0.41) CHRM2CHRM1CHRM3NR1H2EPHX2
SCHEMBL15212714 0.91 CHRM2 (0.39) CHRM2CHRM1CHRM3NR1H2EPHX2
SCHEMBL15212838 0.91 CHRM2 (0.39) CHRM2CHRM1CHRM3NR1H2EPHX2
SCHEMBL20813371 0.91 CHRM2 (0.39) CHRM2CHRM1CHRM3NR1H2EPHX2
SCHEMBL27219245 0.91 CHRM2 (0.39) CHRM2CHRM1CHRM3NR1H2EPHX2
SCHEMBL3669650 0.91 CHRM2 (0.39) CHRM2CHRM1CHRM3NR1H2EPHX2
SCHEMBL19214900 0.91 CHRM2 (0.39) CHRM2CHRM1CHRM3NR1H2EPHX2
SCHEMBL23611102 0.88 CHRM2 (0.34) CHRM2CHRM1CHRM3
SCHEMBL5203966 0.88 CHRM2 (0.41) CHRM2CHRM1CHRM3NR1H2EPHX2

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
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
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 (1 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-20050192297-A1 Quinazolinone compounds with reduced bioaccumulation MC4R, MC2R, MC3R CHRM2 79/4885CHRM1 51/4885CHRM3 48/4885

“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.