SCHEMBL3690892

SCHEMBL3690892

CCN(CC)CC.COc1ccc(C(OCCC(CCCCCNC(C)=O)OC(=O)CCC(=O)O)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.38
MTNR1B P49286 5/20 0.37
MTNR1A P48039 4/20 0.37
SLC6A1 P30531 2/20 0.36
SLC6A11 P48066 1/20 0.36
CYP2D6 P10635 3/20 0.36
HTR2A P28223 3/20 0.36
FOLH1 Q04609 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL3694009 0.90 SLC6A11 (0.39) SLC6A1SLC6A11CYP2D6HTR2A
SCHEMBL3689634 0.85 SLC6A11 (0.41) SLC6A1SLC6A11CYP2D6HTR2A
SCHEMBL4425082 0.81 SLC6A11 (0.42) SLC6A1SLC6A11CYP2D6HTR2A
SCHEMBL3689532 0.79 MTNR1B (0.43) HDAC6MTNR1BMTNR1ASLC6A1SLC6A11
SCHEMBL22380805 0.78 SLC6A11 (0.44) SLC6A1SLC6A11CYP2D6HTR2A
SCHEMBL18349844 0.76 CYP2D6 (0.42) SLC6A1SLC6A11CYP2D6HTR2A
SCHEMBL20650683 0.76 CYP2D6 (0.42) MTNR1BMTNR1ASLC6A1CYP2D6HTR2A
SCHEMBL6838786 0.75 PDE4B (0.47) SLC6A1SLC6A11CYP2D6
SCHEMBL20371128 0.72 CHRM2 (0.46) SLC6A1SLC6A11CYP2D6RAB9A
SCHEMBL13575130 0.72 PLA2G2A (0.44) SLC6A1SLC6A11CYP2D6HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8809514-B2 Tripartite oligonucleotide complexes and methods for gene silencing by RNA interference GE HEALTHCARE DHARMACON, INC. (US) 2014-08-19 US disclosed
US-8501706-B2 Duplex oligonucleotide complexes and methods for gene silencing by RNA interference DHARMACON, INC. (US) 2013-08-06 US disclosed
EP-2064223-B1 Duplex oligonucleotide complexes and methods for gene silencing by RNA interference DHARMACON INC (US) 2013-04-24 EP disclosed
US-20120322855-A1 Duplex Oligonucleotide Complexes and Methods for Gene Silencing by RNA Interference DHARMACON, INC. (US) 2012-12-20 US disclosed
US-8252755-B2 Duplex oligonucleotide complexes and methods for gene silencing by RNA interference DHARMACON, INC. (US) 2012-08-28 US disclosed
US-20100093085-A1 TRIPARTITE OLIGONUCLEOTIDE COMPLEXES AND METHODS FOR GENE SILENCING BY RNA INTERFERENCE DHARMACON, INC (US) 2010-04-15 US disclosed
EP-2064223-A2 DUPLEX OLIGONUCLEOTIDE COMPLEXES AND METHODS FOR GENE SILENCING BY RNA INTERFERENCE Dharmacon, Inc. (US) 2009-06-03 EP disclosed
US-20080085869-A1 Sense strand, antisense strand having complementarity to both the sense strand and a target gene, forming a duplex, a conjugate, facilitating cellular delivery, and a linker molecule; facilitates delivery to a cell, tissue or organism DHARMACON, INC. (US) 2008-04-10 US disclosed
WO-2008036825-A2 DUPLEX OLIGONUCLEOTIDE COMPLEXES AND METHODS FOR GENE SILENCING BY RNA INTERFERENCE DHARMACON, INC. (US) 2008-03-27 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-20100093085-A1 TRIPARTITE OLIGONUCLEOTIDE COMPLEXES AND METHODS FOR GENE SILENCING BY RNA INTERFERENCE SNRPE, DCLRE1B, RNASE1 HDAC6 444/4885MTNR1B 3153/4885MTNR1A 3032/4885
US-20120322855-A1 Duplex Oligonucleotide Complexes and Methods for Gene Silencing by RNA Interference SNRPE, AGO2, DCLRE1B HDAC6 254/4885MTNR1B 2471/4885MTNR1A 3031/4885
US-20080085869-A1 Sense strand, antisense strand having complementarity to both the sense strand and a target gene, forming a duplex, a conjugate, facilitating cellular delivery, and a linker molecule; facilitates delivery to a cell, tissue or organism SRRT, SNRPE, SSBP1 HDAC6 511/4885MTNR1B 3913/4885MTNR1A 3887/4885

“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.