SCHEMBL3316261

SCHEMBL3316261

CNC(=O)CCc1ccc(OC)cc1F

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.61
POLB P06746 1/20 0.54
HSD17B1 P14061 1/20 0.53
HSD17B2 P37059 1/20 0.53
MMP2 P08253 1/20 0.45
MMP9 P14780 1/20 0.45
ADAM17 P78536 1/20 0.45
MTNR1B P49286 1/20 0.45
FFAR1 O14842 1/20 0.45
CHRNA7 P36544 1/20 0.44

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
SCHEMBL8566735 0.85 MTNR1A (0.61) MTNR1APOLBHSD17B1HSD17B2MMP2
SCHEMBL1924061 0.84 POLB (0.56) POLBFFAR1CHRNA7
SCHEMBL8979678 0.83 MPO (0.53) MTNR1APOLBFFAR1CHRNA7
SCHEMBL2723938 0.83 POLB (0.77) POLBFFAR1
SCHEMBL20244569 0.80 POLB (0.55) POLBMTNR1BFFAR1CHRNA7
SCHEMBL23386065 0.78 POLB (0.65) MTNR1APOLBFFAR1
SCHEMBL434775 0.78 POLB (0.52) POLBFFAR1
SCHEMBL21700129 0.77 POLB (0.51) MTNR1APOLBMTNR1BFFAR1
SCHEMBL31263830 0.76 KDM4E (0.52) POLB
SCHEMBL1922899 0.76 KDM4E (0.52) POLB

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 30 patents — showing the first 20. 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-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-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
US-7858631-B2 Substituted pyrido [2,3-d] pyrimidinone compounds 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-20100105654-A1 SUBSTITUTED QUINAZOLINONE COMPOUNDS NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2010-04-29 US disclosed
US-20100105654-A1 SUBSTITUTED QUINAZOLINONE COMPOUNDS NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2010-04-29 US disclosed
EP-1651229-A1 GUANIDINO-SUBSTITUTED QUINAZOLINONE COMPOUNDS AS MC4-R AGONISTS Chiron Corporation (US) 2006-05-03 EP 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
EP-1551834-A1 SUBSTITUTED QUINAZOLINONE COMPOUNDS CHIRON CORPORATION (US) 2005-07-13 EP 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
US-20040019049-A1 Substituted quinazolinone compounds CHIRON CORPORATION 2004-01-29 US disclosed
WO-2003099818-A1 SUBSTITUTED QUINAZOLINONE COMPOUNDS CHIRON CORPORATION (US) 2003-12-04 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 (5 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 MTNR1A 38/4885POLB 3304/4885HSD17B1 2530/4885
US-20040019049-A1 Substituted quinazolinone compounds MC4R, MC2R, MC3R MTNR1A 23/4885POLB 3379/4885HSD17B1 1506/4885
US-20060030573-A1 Substituted quinazolinone compounds MC4R, MC2R, MC3R MTNR1A 27/4885POLB 3495/4885HSD17B1 1600/4885
US-20100105654-A1 SUBSTITUTED QUINAZOLINONE COMPOUNDS MC4R, MC5R, MC2R MTNR1A 60/4885POLB 1876/4885HSD17B1 2503/4885
US-20050192297-A1 Quinazolinone compounds with reduced bioaccumulation MC4R, MC2R, MC3R MTNR1A 16/4885POLB 2626/4885HSD17B1 1351/4885

“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.