SCHEMBL1805904

SCHEMBL1805904

O=C(O)Cc1csc(SCC(=O)NC[C@H]2CN(Cc3cccc(Cl)c3)CCO2)n1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.53
CCR3 P51677 3/20 0.43
DRD4 P21917 4/20 0.42
CCR1 P32246 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.40
EPHX2 P34913 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
NPC1 O15118 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HPGD P15428 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
TP53 P04637 1/20 0.37

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
SCHEMBL1805897 1.00 ALDH1A1 (0.53) ALDH1A1CCR3DRD4CCR1SMN1; SMN2
SCHEMBL1810450 0.93 ALDH1A1 (0.51) ALDH1A1CCR3DRD4CCR1SMN1; SMN2
SCHEMBL1810446 0.93 ALDH1A1 (0.51) ALDH1A1CCR3DRD4CCR1SMN1; SMN2
SCHEMBL1808351 0.92 ALDH1A1 (0.50) ALDH1A1CCR3DRD4CCR1SMN1; SMN2
SCHEMBL1808345 0.92 ALDH1A1 (0.50) ALDH1A1CCR3DRD4CCR1SMN1; SMN2
SCHEMBL1810423 0.91 ALDH1A1 (0.53) ALDH1A1CCR3DRD4CCR1SMN1; SMN2
SCHEMBL1810420 0.91 ALDH1A1 (0.53) ALDH1A1CCR3DRD4CCR1SMN1; SMN2
SCHEMBL1805878 0.91 ALDH1A1 (0.51) ALDH1A1CCR3DRD4CCR1SMN1; SMN2
SCHEMBL1805873 0.91 ALDH1A1 (0.51) ALDH1A1CCR3DRD4CCR1SMN1; SMN2
Potassium SCHEMBL2497166 0.91 ALDH1A1 (0.51) ALDH1A1CCR3DRD4CCR1L3MBTL1

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 10 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
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-7935700-B2 Morpholine compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-05-03 US 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
US-20070265257-A1 Morpholine Compound MITSUBISHI PHARMA CORPORATION (JP) 2007-11-15 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 2661/4885CCR3 1/4885DRD4 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.