SCHEMBL6856040

SCHEMBL6856040

O=C(O)CN(CCc1ccccn1)CCc1ccccn1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.54
CYP3A4 P08684 2/20 0.54
KDM4E B2RXH2 5/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
CYP2C19 P33261 2/20 0.50
TDP1 Q9NUW8 2/20 0.49
MAPT P10636 1/20 0.49
LIN28A Q9H9Z2 1/20 0.49
PTPRA P18433 1/20 0.46
ALDH1A1 P00352 4/20 0.46
HIF1A Q16665 1/20 0.46
HSD11B1 P28845 1/20 0.46
HRH1 P35367 1/20 0.46
KMT2A Q03164 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
TSHR P16473 1/20 0.44

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
SCHEMBL11035924 0.88 CYP1A2 (0.44) CYP1A2CYP3A4KDM4ESMN1; SMN2CYP2C19
SCHEMBL4526885 0.85 SMN1; SMN2 (0.66) CYP1A2CYP3A4KDM4ESMN1; SMN2CYP2C19
SCHEMBL3854916 0.84 SMN1; SMN2 (0.63) CYP1A2CYP3A4SMN1; SMN2CYP2C19TDP1
SCHEMBL2818579 0.83 SMN1; SMN2 (0.68) CYP1A2CYP3A4KDM4ESMN1; SMN2CYP2C19
SCHEMBL1066335 0.83 SMN1; SMN2 (0.61) CYP1A2CYP3A4SMN1; SMN2CYP2C19TDP1
SCHEMBL8209122 0.82 TDP1 (0.66) CYP1A2CYP3A4KDM4ESMN1; SMN2CYP2C19
SCHEMBL19876826 0.82 TDP1 (0.71) CYP1A2CYP3A4KDM4ESMN1; SMN2CYP2C19
SCHEMBL8208243 0.82 SMN1; SMN2 (0.66) CYP1A2CYP3A4KDM4ESMN1; SMN2CYP2C19
SCHEMBL29574935 0.82 SMN1; SMN2 (0.71) CYP1A2CYP3A4KDM4ESMN1; SMN2TDP1
SCHEMBL8200516 0.82 SMN1; SMN2 (0.71) CYP1A2CYP3A4KDM4ESMN1; SMN2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6828427-B1 Oligomeric aminodiol-containing compounds, libraries thereof, and process of preparing the same ISIS PHARMACEUTICALS, INC. 2004-12-07 US disclosed
US-20030065146-A1 Monomeric diols, phosphate linked oligomers formed therefrom and processes for preparing COOK PHILLIP D (US) 2003-04-03 US disclosed
US-6448373-B1 INHIBITORS OF ENZYMES SUCH AS PHOSPHOLIPASE A2; TREATMENT OF INFLAMMATORY DISEASES INCLUDING ATOPIC DERMATITIS AND INFLAMMATORY BOWEL DISEASE ISIS PHARMACEUTICALS, INC. 2002-09-10 US disclosed
EP-0739351-B1 MONOMERIC DIOLS AND PHOSPHATE LINKED OLIGOMERS FORMED THEREFROM ISIS PHARMACEUTICALS INC (US) 2002-04-10 EP disclosed
US-6184389-B1 FEATURE A PLURALITY OF FUNCTIONAL GROUPS ATTACHED TO BACKBONE AND PHOSPHORAMIDATE SITES ISIS PHARMACEUTICALS, INC. 2001-02-06 US disclosed
US-5886177-A ETHYLENE GLYCOL MONOMERS JOINED VIA STANDARD PHOSPHATE LINKAGES INCLUDING PHOSPHOROTHIOATE, PHOSPHODIESTER, AND PHOSPHORAMIDATE LINKAGES; USEFUL FUNCTIONAL GROUPS INCLUDE NUCLEOBASES AS WELL AS POLAR GROUPS, HYDROPHOBIC GROUPS ISIS PHARMACEUTICALS, INC. (US) 1999-03-23 US disclosed
EP-0865439-A4 COMBINATORIAL LIBRARIES HAVING AMINODIOL MONOMER SUBUNITS ISIS PHARMACEUTICALS INC (US) 1998-11-11 EP disclosed
EP-0739351-A4 MONOMERIC DIOLS AND PHOSPHATE LINKED OLIGOMERS FORMED THEREFROM ISIS PHARMACEUTICALS INC (US) 1998-10-21 EP disclosed
EP-0865439-A1 COMBINATORIAL LIBRARIES HAVING AMINODIOL MONOMER SUBUNITS ISIS PHARMACEUTICALS, INC. (US) 1998-09-23 EP disclosed
US-5714606-A OLIGONUCLEOTIDE HAVING RECEPTOR BINDING SITES; ENZYME INHIBITORS, ANTIINFLAMMATORY AGENTS, MEDICAL DIAGNOSIS ISIS PHARMACEUTICALS, INC. (US) 1998-02-03 US disclosed
EP-0739335-A4 PYRROLIDINE-CONTAINING MONOMERS AND OLIGOMERS ISIS PHARMACEUTICALS INC (US) 1997-04-02 EP disclosed
WO-1996040672-A1 COMBINATORIAL LIBRARIES HAVING AMINODIOL MONOMER SUBUNITS ISIS PHARMACEUTICALS, INC. (US) 1996-12-19 WO disclosed
EP-0739335-A1 PYRROLIDINE-CONTAINING MONOMERS AND OLIGOMERS ISIS PHARMACEUTICALS, INC. (US) 1996-10-30 EP disclosed
EP-0739351-A1 MONOMERIC DIOLS AND PHOSPHATE LINKED OLIGOMERS FORMED THEREFROM ISIS PHARMACEUTICALS, INC. (US) 1996-10-30 EP disclosed
US-5519134-A ANTIINFLAMMATORY AGENTS ISIS PHARMACEUTICALS, INC. (US) 1996-05-21 US disclosed
WO-1995018792-A1 PYRROLIDINE-CONTAINING MONOMERS AND OLIGOMERS ISIS PHARMACEUTICALS, INC. (US) 1995-07-13 WO disclosed
WO-1995018820-A1 MONOMERIC DIOLS AND PHOSPHATE LINKED OLIGOMERS FORMED THEREFROM ISIS PHARMACEUTICALS, INC. (US) 1995-07-13 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 (1 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-20030065146-A1 Monomeric diols, phosphate linked oligomers formed therefrom and processes for preparing BPGM, PPIP5K2, PGM2 CYP1A2 4787/4885CYP3A4 4502/4885KDM4E 4696/4885

“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.