SCHEMBL3317446

SCHEMBL3317446

CC(C)(C)N(C(=O)O)C1CN(C(c2ccccc2)c2ccccc2)C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.48
MEN1 O00255 3/20 0.48
SLC6A9 P48067 2/20 0.44
OPRD1 P41143 3/20 0.43
ALDH1A1 P00352 3/20 0.43
POLB P06746 1/20 0.43
OPRM1 P35372 1/20 0.42
OPRK1 P41145 1/20 0.42
OPRL1 P41146 1/20 0.42
CCR5 P51681 1/20 0.42
CACNA2D1 P54289 1/20 0.41
CACNA1B Q00975 1/20 0.41
CACNB1 Q02641 1/20 0.41
CACNA1C Q13936 1/20 0.41
NPSR1 Q6W5P4 2/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
MAOB P27338 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 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
SCHEMBL1221934 0.80 KMT2A (0.49) KMT2AMEN1SLC6A9OPRD1ALDH1A1
SCHEMBL5074955 0.77 OPRD1 (0.52) KMT2AMEN1SLC6A9OPRD1ALDH1A1
SCHEMBL4396480 0.76 KMT2A (0.45) KMT2AMEN1SLC6A9OPRD1ALDH1A1
SCHEMBL4388699 0.76 KMT2A (0.45) KMT2AMEN1SLC6A9OPRD1ALDH1A1
SCHEMBL4594597 0.76 ALDH1A1 (0.47) KMT2AMEN1SLC6A9OPRD1ALDH1A1
SCHEMBL13778878 0.76 KMT2A (0.50) KMT2AMEN1SLC6A9OPRD1ALDH1A1
SCHEMBL4704895 0.75 KDM4D (0.48) KMT2AMEN1SLC6A9OPRD1ALDH1A1
SCHEMBL4388704 0.74 KMT2A (0.43) KMT2AMEN1SLC6A9OPRD1ALDH1A1
SCHEMBL2915912 0.74 OPRM1 (0.48) KMT2AMEN1SLC6A9OPRD1ALDH1A1
SCHEMBL6986421 0.73 HSD11B1 (0.52) KMT2AMEN1SLC6A9OPRD1ALDH1A1

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 13 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-20090306038-A1 2-Aminopyrimidine derivatives as modulators of the histamine H4 receptor activity PALAU PHARMA, S.A. (ES) 2009-12-10 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-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-4777175-A (NAPHTHYRIDINE, QUINOLINE) CARBOXYLIC ACID WARNER-LAMBERT COMPANY (US) 1988-10-11 US disclosed
US-4771054-A QUINOLINE CARBOXYLIC ACID WARNER-LAMBERT COMPANY (US) 1988-09-13 US disclosed
EP-0106489-B1 ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 1988-07-27 EP disclosed
US-4665079-A QUINOLINE DERIVATIVES WARNER-LAMBERT COMPANY (US) 1987-05-12 US disclosed
US-4638067-A NAPHTHYRIDINE AND QUINOLINE CARBOXYLIC ACIDS WARNER-LAMBERT CO. (US) 1987-01-20 US disclosed
EP-0153163-A2 7-Substituted-1-cyclopropyl-6,8-difluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acids; 7-substituted-1-cyclopropyl-1,4-dihydro-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acids; their derivatives; and a process for preparing the compounds WARNER-LAMBERT COMPANY (US) 1985-08-28 EP disclosed
EP-0106489-A2 Antibacterial agents WARNER-LAMBERT COMPANY (US) 1984-04-25 EP 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 KMT2A 4434/4885MEN1 549/4885SLC6A9 4202/4885
US-20100105654-A1 SUBSTITUTED QUINAZOLINONE COMPOUNDS MC4R, MC5R, MC2R KMT2A 4028/4885MEN1 798/4885SLC6A9 3981/4885
US-20050192297-A1 Quinazolinone compounds with reduced bioaccumulation MC4R, MC2R, MC3R KMT2A 3925/4885MEN1 585/4885SLC6A9 1199/4885
US-20090306038-A1 2-Aminopyrimidine derivatives as modulators of the histamine H4 receptor activity HRH4, HRH2, HRH3 KMT2A 345/4885MEN1 3414/4885SLC6A9 2919/4885

“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.