SCHEMBL4401039

SCHEMBL4401039

N=C(N1CCOCC1)n1nnc2ccccc21

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.66
MGLL Q99685 10/20 0.52
FAAH O00519 9/20 0.52
CYP2D6 P10635 1/20 0.50
HTT P42858 2/20 0.46
HPGD P15428 2/20 0.46
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 2/20 0.46
APAF1 O14727 1/20 0.46
NPC1 O15118 1/20 0.46
TDP2 O95551 1/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
THRB P10828 1/20 0.46
BLM P54132 1/20 0.46
SMAD3 P84022 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HKDC1 Q2TB90 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL426681 0.82 MGLL (0.71) MGLLFAAHHTT
SCHEMBL2732640 0.81 DGAT1 (1.00) DGAT1CYP2D6HTTHPGDALDH1A1
SCHEMBL427685 0.77 MGLL (0.60) MGLLFAAH
SCHEMBL14936325 0.77 DGAT1 (0.66) DGAT1MGLLFAAHHPGDKMT2A
SCHEMBL2405870 0.76 DGAT1 (0.60) DGAT1MGLLFAAHHPGDALDH1A1
SCHEMBL13275318 0.75 DGAT1 (0.55) DGAT1MGLLFAAHHPGDKMT2A
SCHEMBL242196 0.73 CYP2D6 (0.60) DGAT1CYP2D6HTTHPGDALDH1A1
SCHEMBL13453106 0.73 DGAT1 (0.77) DGAT1CYP2D6HTTHPGDALDH1A1
SCHEMBL426727 0.71 MGLL (0.60) MGLLFAAH
SCHEMBL1520814 0.71 DGAT1 (0.72) DGAT1CYP2D6HTTHPGDALDH1A1

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
US-9481670-B2 Triazine compounds SPHAERA PHARMA PTE. LTD. (SG) 2016-11-01 US disclosed
US-9481670-B2 Triazine compounds SPHAERA PHARMA PTE. LTD. (SG) 2016-11-01 US disclosed
US-9481670-B2 Triazine compounds SPHAERA PHARMA PTE. LTD. (SG) 2016-11-01 US disclosed
US-20130303516-A1 NOVEL TRIAZINE COMPOUNDS SPHAERA PHARMA PTE. LTD. (SG) 2013-11-14 US disclosed
US-20130303516-A1 NOVEL TRIAZINE COMPOUNDS SPHAERA PHARMA PTE. LTD. (SG) 2013-11-14 US disclosed
US-20130303516-A1 NOVEL TRIAZINE COMPOUNDS SPHAERA PHARMA PTE. LTD. (SG) 2013-11-14 US disclosed
WO-2012101654-A2 NOVEL TRIAZINE COMPOUNDS SPHAERA PHARMA PVT. LTD (IN) 2012-08-02 WO disclosed
EP-1300401-B1 THIAZOLE DERIVATIVES FOR USE AS ANTIINFLAMMATORIES DAINIPPON SUMITOMO PHARMA CO (JP) 2009-12-09 EP disclosed
US-7396842-B2 Five-membered cyclic compounds DIANIPPON SUMITOMO PHARMA CO., LTD. (JP) 2008-07-08 US disclosed
EP-1669070-A2 2-imino-thiazolidine and -oxazolidine derivatives for use as antiinflammatory agents Dainippon Sumitomo Pharma Co., Ltd. (JP) 2006-06-14 EP disclosed
US-20050222226-A1 Five-membered cyclic compounds SUMITOMO PHARMACEUTICALS COMPANY, LIMITED 2005-10-06 US disclosed
US-6919361-B2 Five-membered-ring compound SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2005-07-19 US disclosed
US-20040072827-A1 Five-membered-ring compound SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2004-04-15 US disclosed
EP-1300401-A1 FIVE-MEMBERED-RING COMPOUND SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2003-04-09 EP 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-20040072827-A1 Five-membered-ring compound EPX, IL5, CCR9 DGAT1 2980/4885MGLL 4140/4885FAAH 2965/4885
US-20050222226-A1 Five-membered cyclic compounds EPX, CCL11, CCR9 DGAT1 3197/4885MGLL 3204/4885FAAH 2475/4885
US-20130303516-A1 NOVEL TRIAZINE COMPOUNDS MTOR, MAPKAP1, PIK3R5 DGAT1 2175/4885MGLL 4430/4885FAAH 4553/4885

“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.