SCHEMBL2315958

SCHEMBL2315958

CC(C)CNC(=O)C(C)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.56
CYP2C19 P33261 1/20 0.56
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
MMP1 P03956 1/20 0.48
MMP8 P22894 1/20 0.48
HPGD P15428 2/20 0.43
EPHX1 P07099 2/20 0.41
MAPT P10636 2/20 0.41
HSD17B10 Q99714 2/20 0.41
GAA P10253 1/20 0.41
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
TAS1R2 Q8TE23 1/20 0.39
LMNA P02545 1/20 0.39
ALDH1A1 P00352 1/20 0.38
ANPEP P15144 1/20 0.38
DNPEP Q9ULA0 1/20 0.38
TP53 P04637 2/20 0.37
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL23866601 1.00 CYP2D6 (0.56) CYP2D6CYP2C19KMT2AMEN1MMP1
SCHEMBL8633406 1.00 CYP2D6 (0.56) CYP2D6CYP2C19KMT2AMEN1MMP1
SCHEMBL8195763 0.84 MEN1 (0.50) CYP2D6CYP2C19KMT2AMEN1MMP1
SCHEMBL1582718 0.84 MEN1 (0.50) CYP2D6CYP2C19KMT2AMEN1MMP1
SCHEMBL3354440 0.81 CYP2D6 (0.59) CYP2D6CYP2C19KMT2AMEN1MMP1
SCHEMBL1583004 0.80 MEN1 (0.47) CYP2D6CYP2C19KMT2AMEN1MMP1
SCHEMBL15374903 0.78 MEN1 (0.45) CYP2D6CYP2C19KMT2AMEN1HPGD
SCHEMBL18212154 0.78 MEN1 (0.45) CYP2D6CYP2C19KMT2AMEN1GAA
SCHEMBL15374899 0.78 MEN1 (0.45) CYP2D6CYP2C19KMT2AMEN1HPGD
SCHEMBL18212166 0.78 MEN1 (0.45) CYP2D6CYP2C19KMT2AMEN1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2194778-B1 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS SYNGENTA LTD (GB) 2017-01-18 EP claimed
US-20110190129-A1 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS SYNGENTA LIMITED (GB) 2011-08-04 US claimed
EP-2194778-A2 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS Syngenta Limited (GB) 2010-06-16 EP claimed
WO-2009027624-A2 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS SYNGENTA LIMITED (GB) 2009-03-05 WO claimed
US-20210300940-A1 TLR7/8 ANTAGONISTS AND USES THEREOF MERCK PATENT GMBH (DE) 2021-09-30 US disclosed
US-20200316051-A1 TLR7/8 ANTAGONISTS AND USES THEREOF MERCK PATENT GMBH (DE) 2020-10-08 US disclosed
WO-2020025517-A1 TLR7/8 ANTAGONISTS AND USES THEREOF MERCK PATENT GMBH (DE) 2020-02-06 WO disclosed
EP-2194778-B1 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS SYNGENTA LTD (GB) 2017-01-18 EP disclosed
EP-2001288-B1 PROCESS FOR PRODUCING LACTAMIDE COMPOUNDS, NEW LACTAMIDE COMPOUNDS AND FORMULATIONS CONTAINING LACTAMIDE COMPOUNDS SYNGENTA LTD (GB) 2015-06-24 EP disclosed
CN-101784186-B Improvements relating to organic compounds SYNGENTA LTD. (GB) 2014-10-08 CN disclosed
US-8420859-B2 Formulations SYNGENTA LIMITED (GB) 2013-04-16 US disclosed
US-20110190129-A1 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS SYNGENTA LIMITED (GB) 2011-08-04 US disclosed
EP-2194778-A2 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS Syngenta Limited (GB) 2010-06-16 EP disclosed
WO-2009027624-A3 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS SYNGENTA LIMITED (GB) 2009-12-10 WO disclosed
US-20090227453-A1 FORUMLATIONS SYNGENTA LIMITED (GB) 2009-09-10 US disclosed
WO-2009027624-A2 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS SYNGENTA LIMITED (GB) 2009-03-05 WO disclosed
WO-2009027624-A2 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS SYNGENTA LIMITED (GB) 2009-03-05 WO disclosed
EP-2001288-A2 PROCESS FOR PRODUCING LACTAMIDE COMPOUNDS, NEW LACTAMIDE COMPOUNDS AND FORMULATIONS CONTAINING LACTAMIDE COMPOUNDS Syngenta Limited (GB) 2008-12-17 EP disclosed
WO-2007107745-A2 PROCESS FOR PRODUCING LACTAMIDE COMPOUNDS, NEW LACTAMIDE COMPOUNDS AND FORMULATIONS CONTAINING LACTAMIDE COMPOUNDS SYNGENTA LIMITED (GB) 2007-09-27 WO disclosed
US-20070213407-A1 Compounds to treat Alzheimer's disease ELAN PHARMACEUTICALS AND PHARMACIA & UPJOHN COMPANY LLC 2007-09-13 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 (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-20200316051-A1 TLR7/8 ANTAGONISTS AND USES THEREOF TLR7, TLR8, TLR9 CYP2D6 2908/4885CYP2C19 3103/4885KMT2A 1879/4885
US-20070213407-A1 Compounds to treat Alzheimer's disease PSEN2, PSEN1, CHAT CYP2D6 1759/4885CYP2C19 1374/4885KMT2A 1579/4885
US-20110190129-A1 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS NR4A2, NR2C2, CYP4A22 CYP2D6 113/4885CYP2C19 227/4885KMT2A 3695/4885
US-20090227453-A1 FORUMLATIONS CBR3, NR1H3, NR2C2 CYP2D6 48/4885CYP2C19 209/4885KMT2A 3300/4885
US-20210300940-A1 TLR7/8 ANTAGONISTS AND USES THEREOF TLR7, TLR8, TLR9 CYP2D6 2475/4885CYP2C19 2784/4885KMT2A 1065/4885

“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.