SCHEMBL3316113

SCHEMBL3316113

CC(C)(C)ON(C=O)[C@H]1CC[C@@H](F)CC1

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 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
SCHEMBL5665104 0.81
SCHEMBL385268 0.81
SCHEMBL384440 0.80
SCHEMBL14312348 0.80
SCHEMBL335952 0.78
SCHEMBL3852707 0.78
SCHEMBL3880408 0.77 NR1H2 (0.36)
SCHEMBL383184 0.77 NR1H2 (0.36)
SCHEMBL3313998 0.76
SCHEMBL385025 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7858641-B2 melanocortin-4 receptor (MC4-R) agonists such as (3R,5S)-N-(2-{2-[2-fluoro-4-(methyloxy)phenyl]ethyl}-1-oxo-1,2-dihydroisoquinolin-6-yl)-3,5-dimethyl-N'-[(1S,2S,3S,5R)-2,6,6-trimethylbicyclo[3.1.1]hept-3-yl]piperazine-1-carboximidamide, used for the treatment of obesity or diabetes NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2010-12-28 US disclosed
US-7858631-B2 Substituted pyrido [2,3-d] pyrimidinone compounds NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2010-12-28 US disclosed
EP-1551834-B1 SUBSTITUTED QUINAZOLINONE COMPOUNDS NOVARTIS VACCINES & DIAGNOSTIC (US) 2010-08-25 EP disclosed
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-7368453-B2 Quinazolinone compounds with reduced bioaccumulation CHIRON CORPORATION (US) 2008-05-06 US disclosed
US-20060235019-A1 Substituted quinazolinone compounds CHIRON CORPORATION 2006-10-19 US disclosed
US-7034033-B2 Substituted quinazolinone compounds CHIRON CORPORATION (US) 2006-04-25 US disclosed
US-20060030573-A1 Substituted quinazolinone compounds BOYCE RUSTUM S 2006-02-09 US disclosed
US-20050192297-A1 Quinazolinone compounds with reduced bioaccumulation CHIRON CORPORATION GLAXOSMITHKLINE 2005-09-01 US disclosed
US-20050059662-A1 Substituted quinazolinone compounds CHIRON CORPORATION 2005-03-17 US disclosed
US-20040019049-A1 Substituted quinazolinone compounds CHIRON CORPORATION 2004-01-29 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 (6 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-20060235019-A1 Substituted quinazolinone compounds MC4R, MC2R, MC5R HSD11B1 1356/4885
US-20050059662-A1 Substituted quinazolinone compounds MC4R, MC2R, MC3R HSD11B1 3308/4885
US-20040019049-A1 Substituted quinazolinone compounds MC4R, MC2R, MC3R HSD11B1 1985/4885
US-20060030573-A1 Substituted quinazolinone compounds MC4R, MC2R, MC3R HSD11B1 2093/4885
US-20100105654-A1 SUBSTITUTED QUINAZOLINONE COMPOUNDS MC4R, MC5R, MC2R HSD11B1 3113/4885
US-20050192297-A1 Quinazolinone compounds with reduced bioaccumulation MC4R, MC2R, MC3R HSD11B1 1771/4885

“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.