SCHEMBL12475657

SCHEMBL12475657

COc1ccc(N(CCCC[C@H](N)C(=O)O)C(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 4/20 0.49
SLC1A5 Q15758 3/20 0.48
GRM8 O00222 1/20 0.45
GRM6 O15303 1/20 0.45
GRM4 Q14833 1/20 0.45
PTGDR2 Q9Y5Y4 1/20 0.41
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
LMNA P02545 2/20 0.39
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
SLC6A9 P48067 1/20 0.39
MTNR1A P48039 1/20 0.39

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
SCHEMBL12475944 1.00 KIF11 (0.49) KIF11SLC1A5GRM8GRM6GRM4
SCHEMBL12475948 1.00 KIF11 (0.49) KIF11SLC1A5GRM8GRM6GRM4
SCHEMBL28095117 0.97 KIF11 (0.48) KIF11SLC1A5GRM8GRM6GRM4
SCHEMBL15674316 0.81 SLC1A5 (0.43) KIF11SLC1A5KMT2ASLC6A9POLB
SCHEMBL15674317 0.81 SLC1A5 (0.43) KIF11SLC1A5KMT2ASLC6A9POLB
SCHEMBL3927386 0.81 SLC6A2 (0.42) PTGDR2KMT2AMEN1ALDH1A1MAPT
SCHEMBL3921292 0.78 SLC6A2 (0.39) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL2492138 0.77 SLC6A2 (0.45) KMT2AMEN1ALDH1A1LMNASLC6A9
SCHEMBL10419544 0.72 KIF11 (0.53) KIF11GRM8GRM6GRM4KMT2A
SCHEMBL28463907 0.72 KIF11 (0.53) KIF11GRM8GRM6GRM4KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106117310-B Small molecule conjugates for intracellular delivery of biologically active compounds 弗·哈夫曼-拉罗切有限公司 2021-04-06 CN disclosed
US-9968647-B2 Small molecule conjugates for intracellular delivery of biologically active compounds HOFFMANN-LA ROCHE INC. (US) 2018-05-15 US disclosed
EP-3147367-A1 SMALL MOLECULE CONJUGATES FOR INTRACELLULAR DELIVERY OF NUCLEIC ACIDS F. Hoffmann-La Roche AG (CH) 2017-03-29 EP disclosed
US-20170022505-A1 SMALL MOLECULE CONJUGATES FOR INTRACELLULAR DELIVERY OF BIOLOGICALLY ACTIVE COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2017-01-26 US disclosed
EP-2658981-B1 SMALL MOLECULE CONJUGATES FOR INTRACELLULAR DELIVERY OF NUCLEIC ACIDS HOFFMANN LA ROCHE (CH) 2016-09-28 EP disclosed
EP-2658982-B1 SMALL MOLECULE CONJUGATES FOR INTRACELLULAR DELIVERY OF BIOLOGICALLY ACTIVE COMPOUNDS HOFFMANN LA ROCHE (CH) 2016-04-20 EP disclosed
US-9301990-B2 Small molecule conjugates for intracellular delivery of biologically active compounds HOFFMANN-LA ROCHE, INC. (US) 2016-04-05 US disclosed
US-9198947-B2 Small molecule conjugates for intracellular delivery of nucleic acids HOFFMANN-LA ROCHE INC. (US) 2015-12-01 US disclosed
US-20140135381-A1 Small molecule conjugates for intracellular delivery of biologically active compounds HOFFMANN-LA ROCHE INC. (US) 2014-05-15 US disclosed
US-20140135380-A1 Small molecule conjugates for intracellular delivery of nucleic acids HOFFMANN-LA ROCHE INC. (US) 2014-05-15 US disclosed
EP-2658981-A1 SMALL MOLECULE CONJUGATES FOR INTRACELLULAR DELIVERY OF NUCLEIC ACIDS F.HOFFMANN-LA ROCHE AG (CH) 2013-11-06 EP disclosed
EP-2658982-A1 SMALL MOLECULE CONJUGATES FOR INTRACELLULAR DELIVERY OF BIOLOGICALLY ACTIVE COMPOUNDS F.HOFFMANN-LA ROCHE AG (CH) 2013-11-06 EP disclosed
WO-2012089602-A1 SMALL MOLECULE CONJUGATES FOR INTRACELLULAR DELIVERY OF BIOLOGICALLY ACTIVE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2012-07-05 WO disclosed
WO-2012089352-A1 SMALL MOLECULE CONJUGATES FOR INTRACELLULAR DELIVERY OF NUCLEIC ACIDS F. HOFFMANN-LA ROCHE AG (CH) 2012-07-05 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 (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-20140135381-A1 Small molecule conjugates for intracellular delivery of biologically active compounds SNRPE, PHAX, SNRPA KIF11 758/4885SLC1A5 984/4885GRM8 4475/4885
US-20140135380-A1 Small molecule conjugates for intracellular delivery of nucleic acids SNRPE, PHAX, SNRPA KIF11 359/4885SLC1A5 415/4885GRM8 4255/4885
US-20170022505-A1 SMALL MOLECULE CONJUGATES FOR INTRACELLULAR DELIVERY OF BIOLOGICALLY ACTIVE COMPOUNDS SNRPE, PHAX, SNRPA KIF11 758/4885SLC1A5 984/4885GRM8 4475/4885

“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.