SCHEMBL1715432

SCHEMBL1715432

CCOC(=O)CCCCCN1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.45
HRH2 P25021 11/20 0.45
HRH1 P35367 11/20 0.45
EPHX2 P34913 4/20 0.42
ACKR3 P25106 1/20 0.42
PAOX Q6QHF9 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
SCHEMBL22325298 1.00 TLR8 (0.45) TLR8HRH2HRH1EPHX2ACKR3
SCHEMBL21069069 0.99 TLR8 (0.46) TLR8HRH2HRH1EPHX2ACKR3
SCHEMBL6421573 0.95 TLR8 (0.47) TLR8HRH2HRH1ACKR3
SCHEMBL4360530 0.89 KMT2A (0.46) TLR8
SCHEMBL22325407 0.86 EPHX2 (0.45) TLR8EPHX2ACKR3PAOX
SCHEMBL22325269 0.86 EPHX2 (0.45) TLR8EPHX2ACKR3PAOX
SCHEMBL29290835 0.86 EPHX2 (0.45) TLR8EPHX2ACKR3PAOX
SCHEMBL8253901 0.86 USP2 (0.51) TLR8EPHX2ACKR3
SCHEMBL25247792 0.86 TLR8 (0.42) TLR8HRH2HRH1ACKR3
SCHEMBL31465617 0.85 EPHX2 (0.46) TLR8EPHX2ACKR3PAOX

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1481966-B1 NOVEL ARYLAMIDINE DERIVATIVE OR SALT THEREOF TOYAMA CHEMICAL CO LTD (JP) 2011-07-20 EP disclosed
US-7700306-B2 characterising a polypeptide by matrix assisted laser desorption ionization (MALDI) mass spectrometry; improving sensitivity, and can increase the number of peptides that are detected from a protein ELECTROPHORETICS LIMITED (GB) 2010-04-20 US disclosed
US-7700306-B2 characterising a polypeptide by matrix assisted laser desorption ionization (MALDI) mass spectrometry; improving sensitivity, and can increase the number of peptides that are detected from a protein ELECTROPHORETICS LIMITED (GB) 2010-04-20 US disclosed
US-7700306-B2 characterising a polypeptide by matrix assisted laser desorption ionization (MALDI) mass spectrometry; improving sensitivity, and can increase the number of peptides that are detected from a protein ELECTROPHORETICS LIMITED (GB) 2010-04-20 US disclosed
US-7291617-B2 Arylamidine derivative or salt thereof TOYAMA CHEMICAL CO., LTD. (JP) 2007-11-06 US disclosed
US-7291617-B2 Arylamidine derivative or salt thereof TOYAMA CHEMICAL CO., LTD. (JP) 2007-11-06 US disclosed
US-20060040334-A1 Method for characterising analytes XZILLION GMBH & CO. KG (DE) 2006-02-23 US disclosed
US-20050113424-A1 Novel arylamidine derivative or salt thereof TOYAMA CHEMICAL CO., LTD (JP) 2005-05-26 US disclosed
EP-1490693-A1 METHOD FOR CHARACTERISING ANALYTES Xzillion GmbH & CO.KG (DE) 2004-12-29 EP disclosed
EP-1481966-A1 NOVEL ARYLAMIDINE DERIVATIVE OR SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2004-12-01 EP disclosed
WO-2003087839-A1 METHOD FOR CHARACTERISING ANALYTES XZILLION GMBH & CO. KG (DE) 2003-10-23 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 (1 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-20050113424-A1 Novel arylamidine derivative or salt thereof SLC7A1, NAT1, NACA TLR8 256/4885HRH2 284/4885HRH1 386/4885

“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.