SCHEMBL764125

SCHEMBL764125

COc1ccc(C(OCC2CCCN2C(=O)C(F)(F)F)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A11 P48066 8/20 0.52
SLC6A1 P30531 4/20 0.52
SLC6A12 P48065 2/20 0.48
MEN1 O00255 1/20 0.48
TP53 P04637 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
KMT2A Q03164 1/20 0.48
SLC6A13 Q9NSD5 1/20 0.48
HSD11B1 P28845 1/20 0.44
FFAR1 O14842 1/20 0.43
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
CHRM3 P20309 2/20 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
SCHEMBL10118446 0.88 SLC6A11 (0.55) SLC6A11SLC6A1SLC6A12MEN1TP53
SCHEMBL19463293 0.86 SLC6A11 (0.46) SLC6A11SLC6A1SLC6A12MEN1TP53
SCHEMBL26502803 0.83 SLC6A11 (0.52) SLC6A11SLC6A1SLC6A12MEN1TP53
SCHEMBL15592424 0.82 SLC6A11 (0.45) SLC6A11SLC6A1SLC6A12MEN1TP53
SCHEMBL16392604 0.81 DPP4 (0.45) SLC6A11SLC6A1SLC6A12MEN1TP53
SCHEMBL16392603 0.81 SLC6A11 (0.48) SLC6A11SLC6A1SLC6A12MEN1TP53
SCHEMBL18413370 0.81 SLC6A11 (0.48) SLC6A11SLC6A1SLC6A12MEN1TP53
SCHEMBL10118380 0.81 SLC6A11 (0.48) SLC6A11SLC6A1SLC6A12MEN1TP53
SCHEMBL15525872 0.79 SLC6A1 (0.49) SLC6A11SLC6A1MEN1CYP3A4KMT2A
SCHEMBL16357997 0.79 SLC6A11 (0.47) SLC6A11SLC6A1SLC6A12MEN1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160108400-A1 Single-Stranded Nucleic Acid Molecule for Controlling Gene Expression BONAC CORPORATION (JP) 2016-04-21 US disclosed
US-9206422-B2 Single-stranded nucleic acid molecule having nitrogen-containing alicyclic skeleton BONAC CORPORATION (JP) 2015-12-08 US disclosed
US-9200278-B2 Single-stranded nucleic acid molecule having nitrogen-containing alicyclic skeleton BONAC CORPORATION (JP) 2015-12-01 US disclosed
EP-2933333-A1 SINGLE-STRAND NUCLEIC ACID MOLECULE FOR CONTROLLING GENE EXPRESSION Bonac Corporation (JP) 2015-10-21 EP disclosed
EP-2639307-B1 Single-stranded nucleic acid molecule having nitrogen-containing alicyclic skeleton BONAC CORP (JP) 2015-03-04 EP disclosed
US-20150011605-A1 Single-Stranded Nucleic Acid Molecule for Controlling Gene Expression BONAC CORPORATION (JP) 2015-01-08 US disclosed
EP-2628801-B1 Single-stranded nucleic acid molecule having nitrogen-containing alicyclic skeleton BONAC CORP (JP) 2015-01-07 EP disclosed
US-8785121-B2 Single-stranded nucleic acid molecule for controlling gene expression BONAC CORPORATION (JP) 2014-07-22 US disclosed
US-20140171486-A1 Single-Stranded Nucleic Acid Molecule Having Nitrogen-Containing Alicyclic Skeleton BONAC CORPORATION (JP) 2014-06-19 US disclosed
US-20140171633-A1 Single-Stranded Nucleic Acid Molecule Having Nitrogen-Containing Alicyclic Skeleton BONAC CORPORATION (JP) 2014-06-19 US disclosed
US-8691782-B2 Single-stranded nucleic acid molecule having nitrogen-containing alicyclic skeleton BONAC CORPORATION (JP) 2014-04-08 US disclosed
EP-2639307-A2 Single-stranded nucleic acid molecule having nitrogen-containing alicyclic skeleton Bonac Corporation (JP) 2013-09-18 EP disclosed
EP-2628801-A1 Single-stranded nucleic acid molecule having nitrogen-containing alicyclic skeleton Bonac Corporation (JP) 2013-08-21 EP disclosed
EP-2431466-A1 SINGLE-STRAND NUCLEIC ACID MOLECULE FOR CONTROLLING GENE EXPRESSION Bonac Corporation (JP) 2012-03-21 EP disclosed
US-20120035246-A1 SINGLE-STRANDED NUCLEIC ACID MOLECULE HAVING NITROGEN-CONTAINING ALICYCLIC SKELETON BONAC CORPORATION (JP) 2012-02-09 US disclosed
US-20120010271-A1 SINGLE-STRANDED NUCLEIC ACID MOLECULE FOR CONTROLLING GENE EXPRESSION BONAC CORPORATION (JP) 2012-01-12 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 (3 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-20120010271-A1 SINGLE-STRANDED NUCLEIC ACID MOLECULE FOR CONTROLLING GENE EXPRESSION SRRT, SSU72, RPRD2 SLC6A11 2828/4885SLC6A1 2904/4885SLC6A12 3269/4885
US-20140171633-A1 Single-Stranded Nucleic Acid Molecule Having Nitrogen-Containing Alicyclic Skeleton NSUN2, CTDSP1, RNGTT SLC6A11 4043/4885SLC6A1 3932/4885SLC6A12 3999/4885
US-20120035246-A1 SINGLE-STRANDED NUCLEIC ACID MOLECULE HAVING NITROGEN-CONTAINING ALICYCLIC SKELETON NSUN2, CTDSP1, RNGTT SLC6A11 4043/4885SLC6A1 3932/4885SLC6A12 3999/4885

“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.