SCHEMBL1808351

SCHEMBL1808351

O=C(O)Cc1csc(SCC(=O)NC[C@H]2CN(Cc3cc(Cl)cc(Cl)c3)CCO2)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
L3MBTL1 Q9Y468 1/20 0.39
CACNA1H O95180 1/20 0.39
CCR3 P51677 2/20 0.39
CCR1 P32246 1/20 0.39
GRN P28799 1/20 0.38
SORT1 Q99523 1/20 0.38
DRD4 P21917 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
NPC1 O15118 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
HPGD P15428 3/20 0.36
POLB P06746 1/20 0.36
UBE2N P61088 1/20 0.36
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
HTR1A P08908 1/20 0.35
ADRA2A P08913 1/20 0.35

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
SCHEMBL1808345 1.00 ALDH1A1 (0.50) ALDH1A1L3MBTL1CACNA1HCCR3CCR1
SCHEMBL1808947 0.93 ALDH1A1 (0.48) ALDH1A1L3MBTL1CACNA1HCCR3CCR1
SCHEMBL1808941 0.93 ALDH1A1 (0.48) ALDH1A1L3MBTL1CACNA1HCCR3CCR1
SCHEMBL1810420 0.93 ALDH1A1 (0.53) ALDH1A1L3MBTL1CCR3CCR1DRD4
SCHEMBL1810423 0.93 ALDH1A1 (0.53) ALDH1A1L3MBTL1CCR3CCR1DRD4
SCHEMBL1805904 0.92 ALDH1A1 (0.53) ALDH1A1L3MBTL1CCR3CCR1DRD4
SCHEMBL1805897 0.92 ALDH1A1 (0.53) ALDH1A1L3MBTL1CCR3CCR1DRD4
Potassium SCHEMBL2497166 0.91 ALDH1A1 (0.51) ALDH1A1L3MBTL1CCR3CCR1DRD4
SCHEMBL1809259 0.91 ALDH1A1 (0.51) ALDH1A1L3MBTL1CCR3CCR1DRD4
SCHEMBL1809253 0.91 ALDH1A1 (0.51) ALDH1A1L3MBTL1CCR3CCR1DRD4

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
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-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 2661/4885L3MBTL1 1798/4885CACNA1H 3091/4885

“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.