SCHEMBL4467745

SCHEMBL4467745

CC(C)(C)OC(=O)N1CC[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1COS(C)(=O)=O

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 1/20 0.36
ALDH1A1 P00352 2/20 0.33
GPR119 Q8TDV5 4/20 0.32
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
TSHR P16473 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL3318261 0.87
SCHEMBL9697769 0.86 ALDH1A1 (0.35) ALDH1A1CHRM2CHRM1CHRM3TSHR
SCHEMBL7869194 0.86 ALDH1A1 (0.38) ALDH1A1CHRM2CHRM1CHRM3TSHR
SCHEMBL651147 0.84 HCRTR2 (0.38) HCRTR2GPR119CHRM2CHRM1CHRM3
SCHEMBL28960535 0.84 HCRTR2 (0.38) HCRTR2GPR119CHRM2CHRM1CHRM3
SCHEMBL24411299 0.84 ALDH1A1 (0.37) ALDH1A1CHRM2CHRM1CHRM3TSHR
SCHEMBL375444 0.84 ALDH1A1 (0.37) ALDH1A1CHRM2CHRM1CHRM3TSHR
SCHEMBL12979137 0.84 ALDH1A1 (0.37) ALDH1A1CHRM2CHRM1CHRM3TSHR
SCHEMBL144302 0.84 ALDH1A1 (0.37) ALDH1A1CHRM2CHRM1CHRM3TSHR
SCHEMBL142417 0.84 ALDH1A1 (0.37) ALDH1A1CHRM2CHRM1CHRM3TSHR

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 6 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
US-7625909-B2 Substituted quinazolinone compounds NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2009-12-01 US disclosed
US-7368453-B2 Quinazolinone compounds with reduced bioaccumulation CHIRON CORPORATION (US) 2008-05-06 US disclosed
US-7368453-B2 Quinazolinone compounds with reduced bioaccumulation CHIRON CORPORATION (US) 2008-05-06 US disclosed
US-20050192297-A1 Quinazolinone compounds with reduced bioaccumulation CHIRON CORPORATION GLAXOSMITHKLINE 2005-09-01 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-20100105654-A1 SUBSTITUTED QUINAZOLINONE COMPOUNDS MC4R, MC5R, MC2R HCRTR2 1636/4885ALDH1A1 4209/4885GPR119 164/4885
US-20050192297-A1 Quinazolinone compounds with reduced bioaccumulation MC4R, MC2R, MC3R HCRTR2 816/4885ALDH1A1 1655/4885GPR119 81/4885

“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.