SCHEMBL13425280

SCHEMBL13425280

CCOC(COP(N(C(C)C)C(C)C)N(C(C)C)C(C)C)OCCSC(=O)c1ccc(N)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.35
MAOA P21397 2/20 0.35
CYP2D6 P10635 2/20 0.35
HTR3A P46098 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
LMNA P02545 5/20 0.35
CYP1A2 P05177 3/20 0.35
CYP3A4 P08684 3/20 0.35
BLM P54132 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
SCN1A P35498 2/20 0.33
SCN2A Q99250 2/20 0.33
SCN3A Q9NY46 2/20 0.33
CHRM2 P08172 1/20 0.33
HTR1A P08908 1/20 0.33
GAA P10253 1/20 0.33
DRD3 P35462 1/20 0.33
SLC6A3 Q01959 1/20 0.33
KCNH2 Q12809 1/20 0.33
CYP2C19 P33261 2/20 0.32

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
SCHEMBL12022662 0.91 TSHR (0.30) TSHRGAAKMT2A
SCHEMBL13425272 0.81 TSHR (0.36) TSHRMAOACYP2D6HTR3AHRH3
SCHEMBL13425277 0.81 TSHR (0.36) TSHRMAOACYP2D6HTR3AHRH3
SCHEMBL17613670 0.80 LMNA (0.42) TSHRMAOACYP2D6HTR3AHRH3
SCHEMBL12022508 0.79
SCHEMBL12022514 0.79
SCHEMBL13425317 0.78
SCHEMBL17613597 0.77
SCHEMBL13425316 0.77
SCHEMBL12022678 0.77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10022454-B2 Functionalized phosphorodiamites for therapeutic oligonucleotide synthesis LIPOSCIENCES, LLC (US) 2018-07-17 US disclosed
US-20170224832-A9 SELF DELIVERING BIO-LABILE PHOSPHATE PROTECTED PRO-OLIGOS FOR OLIGONUCLEOTIDE BASED THERAPEUTICS AND MEDIATING RNA INTERFERENCE PETERSEN SCOTT G (US) 2017-08-10 US disclosed
EP-3067359-A1 SELF DELIVERING BIO-LABILE PHOSPHATE PROTECTED PRO-OLIGOS FOR OLIGONUCLEOTIDE BASED THERAPEUTICS AND MEDIATING RNA INTERFERENCE Petersen, Scott G. (US) 2016-09-14 EP disclosed
EP-2346883-B1 SELF DELIVERING BIO-LABILE PHOSPHATE PROTECTED PRO-OLIGOS FOR OLIGONUCLEOTIDE BASED THERAPEUTICS AND MEDIATING RNA INTERFERENCE PETERSEN SCOTT G (US) 2016-03-23 EP disclosed
US-8691971-B2 Self delivering bio-labile phosphate protected pro-oligos for oligonucleotide based therapeutics and mediating RNA interference KIPPERMAN, RICHARD M. 2014-04-08 US disclosed
WO-2010039543-A2 SELF DELIVERING BIO-LABILE PHOSPHATE PROTECTED PRO-OLIGOS FOR OLIGONUCLEOTIDE BASED THERAPEUTICS AND MEDIATING RNA INTERFERENCE TRAVERSA THERAPEUTICS, INC. (US) 2010-04-08 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 (2 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-10022454-B2 Functionalized phosphorodiamites for therapeutic oligonucleotide synthesis NCL, PHOSPHO1, POLN TSHR 2644/4885MAOA 4772/4885CYP2D6 4422/4885
US-20170224832-A9 SELF DELIVERING BIO-LABILE PHOSPHATE PROTECTED PRO-OLIGOS FOR OLIGONUCLEOTIDE BASED THERAPEUTICS AND MEDIATING RNA INTERFERENCE POLN, SARNP, NCL TSHR 3741/4885MAOA 4707/4885CYP2D6 4822/4885

“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.