SCHEMBL1811675

SCHEMBL1811675

O=C(O)Cc1csc(SCC(=O)NCC2CN(Cc3ccc(Cl)cc3Cl)CCO2)n1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
HPGD P15428 4/20 0.45
DRD4 P21917 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
SHMT1 P34896 1/20 0.39
SHMT2 P34897 1/20 0.39
NPSR1 Q6W5P4 2/20 0.37
CCR3 P51677 1/20 0.37
NPC1 O15118 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
KDM4E B2RXH2 1/20 0.36
POLB P06746 1/20 0.36
CYP2A13 Q16696 1/20 0.36
USP2 O75604 1/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL1811679 1.00 ALDH1A1 (0.46) ALDH1A1HPGDDRD4L3MBTL1SHMT1
SCHEMBL1810835 0.93 HPGD (0.44) ALDH1A1HPGDDRD4L3MBTL1SHMT1
SCHEMBL1810832 0.93 HPGD (0.44) ALDH1A1HPGDDRD4L3MBTL1SHMT1
SCHEMBL1812063 0.90 NPSR1 (0.48) ALDH1A1HPGDDRD4L3MBTL1NPSR1
SCHEMBL1812067 0.90 NPSR1 (0.48) ALDH1A1HPGDDRD4L3MBTL1NPSR1
SCHEMBL1810420 0.90 ALDH1A1 (0.53) ALDH1A1HPGDDRD4L3MBTL1CCR3
SCHEMBL1810423 0.90 ALDH1A1 (0.53) ALDH1A1HPGDDRD4L3MBTL1CCR3
SCHEMBL1805904 0.88 ALDH1A1 (0.53) ALDH1A1HPGDDRD4L3MBTL1CCR3
SCHEMBL1808920 0.88 ALDH1A1 (0.48) ALDH1A1HPGDL3MBTL1CCR3NPC1
SCHEMBL1808916 0.88 ALDH1A1 (0.48) ALDH1A1HPGDL3MBTL1CCR3NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1801108-B9 MORPHOLINE COMPOUNDS FOR THE TREATMENT OF INFLAMMATIONS MITSUBISHI TANABE PHARMA CORP (JP) 2013-11-20 EP disclosed
EP-1801108-B1 MORPHOLINE COMPOUNDS FOR THE TREATMENT OF INFLAMMATIONS MITSUBISHI TANABE PHARMA CORP (JP) 2012-11-14 EP disclosed
US-7935700-B2 Morpholine compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-05-03 US disclosed
US-20070265257-A1 Morpholine Compound MITSUBISHI PHARMA CORPORATION (JP) 2007-11-15 US disclosed
EP-1801108-A1 MORPHOLINE COMPOUND Mitsubishi Pharma Corporation (JP) 2007-06-27 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 (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-20070265257-A1 Morpholine Compound CCR3, CCR1, CCR4 ALDH1A1 2661/4885HPGD 3730/4885DRD4 768/4885

“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.