SCHEMBL11992564

SCHEMBL11992564

COc1ccc(C(OC[C@@H]2C[C@@H](OP(OCCC#N)N(C(C)C)C(C)C)CN2C(=O)CCCCCN(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SLC6A1 P30531 2/20 0.33
SLC6A11 P48066 1/20 0.33

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
SCHEMBL26302696 0.94 SLC6A11 (0.33) SLC6A1SLC6A11
SCHEMBL16299839 0.92 SLC6A11 (0.35) SLC6A1SLC6A11
SCHEMBL11992545 0.90 ALDH1A1 (0.34) SLC6A1SLC6A11
SCHEMBL12209383 0.90 ALDH1A1 (0.34) SLC6A1SLC6A11
SCHEMBL16393119 0.89 SLC6A1 (0.31) SLC6A1SLC6A11
SCHEMBL2997021 0.89 SLC6A11 (0.37) SLC6A1SLC6A11
SCHEMBL16926632 0.88 SLC6A1 (0.31) SLC6A1SLC6A11
SCHEMBL21662396 0.88 SLC6A11 (0.36) SLC6A1SLC6A11
SCHEMBL8983299 0.88 SLC6A1 (0.31) SLC6A1SLC6A11
SCHEMBL11992573 0.87 SLC6A11 (0.34) SLC6A1SLC6A11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9914924-B2 Methods and compositions for treating neurological disease UNIVERSITY OF MASSACHUSETTS (US) 2018-03-13 US disclosed
US-9453222-B2 Ligand-conjugated monomers ALNYLAM PHARMACEUTICALS, INC. (US) 2016-09-27 US disclosed
US-9453222-B2 Ligand-conjugated monomers ALNYLAM PHARMACEUTICALS, INC. (US) 2016-09-27 US disclosed
US-20160264968-A1 MODIFIED iRNA AGENTS ALNYLAM PHARMACEUTICALS, INC. 2016-09-15 US disclosed
US-20160264968-A1 MODIFIED iRNA AGENTS ALNYLAM PHARMACEUTICALS, INC. 2016-09-15 US disclosed
US-9394540-B2 Modified iRNA agents ALNYLAM PHARMACEUTICALS, INC. (US) 2016-07-19 US disclosed
US-9394540-B2 Modified iRNA agents ALNYLAM PHARMACEUTICALS, INC. (US) 2016-07-19 US disclosed
EP-2990410-A1 CHEMICALLY MODIFIED OLIGONUCLEOTIDES Alnylam Pharmaceuticals Inc. (US) 2016-03-02 EP disclosed
US-20150232840-A1 METHODS AND COMPOSITIONS FOR TREATING NEUROLOGICAL DISEASE UNIVERSITY OF MASSACHUSETTS 2015-08-20 US disclosed
US-20150232840-A1 METHODS AND COMPOSITIONS FOR TREATING NEUROLOGICAL DISEASE UNIVERSITY OF MASSACHUSETTS 2015-08-20 US disclosed
US-7745608-B2 Modified iRNA agents ALNYLAM PHARMACEUTICALS, INC. (US) 2010-06-29 US disclosed
US-20100069471-A1 CHEMICALLY MODIFIED OLIGONUCLEOTIDES ALNYLAM PHARMACEUTICALS, INC. (US) 2010-03-18 US disclosed
US-20090286973-A1 LIGAND-CONJUGATED MONOMERS ALNYLAM PHARMACEUTICALS, INC. (US) 2009-11-19 US disclosed
US-7582744-B2 containing 2'-O-methyl modified nucleoside; oligonucleotide having a nucleotide sequence consisting of from 12 to 23 nucleotides in length sufficiently complementary to a microRNA target sequence of about 12 to 23 nucleotides, conjugate with a cholesterol or steroid; for inhibiting gene expression ALNYLAM PHARMACEUTICALS, INC. (US) 2009-09-01 US disclosed
US-20070161591-A1 Methods and compositions for treating neurological disease UNIVERSITY OF MASSACHUSETTS (US) 2007-07-12 US disclosed
US-20070161591-A1 Methods and compositions for treating neurological disease UNIVERSITY OF MASSACHUSETTS (US) 2007-07-12 US disclosed
US-20070105803-A1 Methods and compositions for treating neurological disease MASSACHUSETTS, UNIVERSITY OF 2007-05-10 US disclosed
US-20070105803-A1 Methods and compositions for treating neurological disease MASSACHUSETTS, UNIVERSITY OF 2007-05-10 US disclosed
WO-2007022506-A2 METHODS AND COMPOSITIONS FOR TREATING NEUROLOGICAL DISEASE UNIVERSITY OF MASSACHUSETTS (US) 2007-02-22 WO disclosed
WO-2007022470-A2 METHODS AND COMPOSITIONS FOR TREATING NEUROLOGICAL DISEASE ALNYLAM PHARMACEUTICALS, INC. (US) 2007-02-22 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 (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-20100069471-A1 CHEMICALLY MODIFIED OLIGONUCLEOTIDES NSUN2, RNGTT, DCLRE1B SLC6A1 4771/4885SLC6A11 4763/4885
US-20070161591-A1 Methods and compositions for treating neurological disease SMN1; SMN2, CLN6, INA SLC6A1 1706/4885SLC6A11 1670/4885
US-20150232840-A1 METHODS AND COMPOSITIONS FOR TREATING NEUROLOGICAL DISEASE SMN1; SMN2, CLN6, INA SLC6A1 1706/4885SLC6A11 1670/4885
US-20070105803-A1 Methods and compositions for treating neurological disease SMN1; SMN2, CLN6, INA SLC6A1 1706/4885SLC6A11 1670/4885
US-20090286973-A1 LIGAND-CONJUGATED MONOMERS TNFSF11, BCDIN3D, CD40LG SLC6A1 4597/4885SLC6A11 4728/4885

“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.