SCHEMBL3318028

SCHEMBL3318028

CC1CN(Cc2ccccc2)CC(=O)N1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.46
SIGMAR1 Q99720 2/20 0.45
GAA P10253 2/20 0.44
FUCA1 P04066 2/20 0.42
ALOX5 P09917 1/20 0.42
MC4R P32245 1/20 0.41
S1PR1 P21453 1/20 0.41
S1PR5 Q9H228 1/20 0.41
TACR1 P25103 1/20 0.40
OPRL1 P41146 1/20 0.40
EPHX2 P34913 1/20 0.40

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
SCHEMBL3318031 1.00 ACHE (0.46) ACHESIGMAR1GAAFUCA1ALOX5
SCHEMBL2897294 0.85 ACHE (0.51) ACHESIGMAR1GAAMC4RTACR1
SCHEMBL24326686 0.82 FUCA1 (0.53) ACHESIGMAR1GAAFUCA1S1PR1
SCHEMBL26690669 0.82 ALOX5 (0.47) ACHESIGMAR1GAAFUCA1ALOX5
SCHEMBL26690672 0.82 ALOX5 (0.47) ACHESIGMAR1GAAFUCA1ALOX5
SCHEMBL23607620 0.79 LTA4H (0.46) GAA
SCHEMBL4072649 0.79 SIGMAR1 (0.46) SIGMAR1FUCA1S1PR1S1PR5
SCHEMBL4072653 0.79 SIGMAR1 (0.46) SIGMAR1FUCA1S1PR1S1PR5
SCHEMBL20304604 0.79 SIGMAR1 (0.46) SIGMAR1FUCA1S1PR1S1PR5
SCHEMBL6541099 0.77 TACR1 (0.52) SIGMAR1FUCA1S1PR1S1PR5TACR1

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3313397-B1 PURINE INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA MERCK SHARP & DOHME (US) 2020-11-25 EP disclosed
EP-3313397-B1 PURINE INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA MERCK SHARP & DOHME (US) 2020-11-25 EP disclosed
US-10221178-B2 Purine inhibitors of human phosphatidylinositol 3-kinase delta MERCK SHARP & DOHME CORP. (US) 2019-03-05 US disclosed
US-10221178-B2 Purine inhibitors of human phosphatidylinositol 3-kinase delta MERCK SHARP & DOHME CORP. (US) 2019-03-05 US disclosed
US-20180141947-A1 Purine Inhibitors of Human Phosphatidylinositol 3-Kinase Delta MERCK SHARP & DOHME CORP. (US) 2018-05-24 US disclosed
US-20180141947-A1 Purine Inhibitors of Human Phosphatidylinositol 3-Kinase Delta MERCK SHARP & DOHME CORP. (US) 2018-05-24 US disclosed
US-20180141947-A1 Purine Inhibitors of Human Phosphatidylinositol 3-Kinase Delta MERCK SHARP & DOHME CORP. (US) 2018-05-24 US disclosed
EP-3313397-A1 PURINE INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA Merck Sharp & Dohme Corp. (US) 2018-05-02 EP disclosed
WO-2017000125-A1 PURINE INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA MERCK SHARP & DOHME CORP. (US) 2017-01-05 WO disclosed
WO-2017003836-A1 PURINE INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA MERCK SHARP & DOHME CORP. (US) 2017-01-05 WO 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
CN-1901916-A Quinazolinone compounds with reduced in vivo accumulation CHIRON CORP (US) 2007-01-24 CN disclosed
CN-1829517-A Guanidino-substituted quinazolines as MC 4-R agonists CHIRON CORP (US) 2006-09-06 CN 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 (4 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 ACHE 3166/4885SIGMAR1 1329/4885GAA 2324/4885
US-10221178-B2 Purine inhibitors of human phosphatidylinositol 3-kinase delta PIK3CD, PIK3CA, PI4KA ACHE 2706/4885SIGMAR1 1616/4885GAA 1934/4885
US-20180141947-A1 Purine Inhibitors of Human Phosphatidylinositol 3-Kinase Delta PIK3CD, PIK3CA, PI4KA ACHE 2706/4885SIGMAR1 1616/4885GAA 1934/4885
US-20050192297-A1 Quinazolinone compounds with reduced bioaccumulation MC4R, MC2R, MC3R ACHE 1014/4885SIGMAR1 348/4885GAA 1194/4885

“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.