SCHEMBL1808489

SCHEMBL1808489

O=C(O)Cc1csc(SCC(=O)NCC2CN(Cc3cccc(Cl)c3F)CCO2)n1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
NPC1 O15118 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HPGD P15428 2/20 0.36
POLB P06746 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
CCR1 P32246 1/20 0.36
CCR3 P51677 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KMT2A Q03164 2/20 0.35
GAA P10253 1/20 0.35
RXFP1 Q9HBX9 2/20 0.35
RAB9A P51151 2/20 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
SCHEMBL1808494 1.00 ALDH1A1 (0.47) ALDH1A1NPC1TDP1L3MBTL1HPGD
SCHEMBL1807143 0.93 ALDH1A1 (0.44) ALDH1A1NPC1TDP1L3MBTL1HPGD
SCHEMBL1807140 0.93 ALDH1A1 (0.44) ALDH1A1NPC1TDP1L3MBTL1HPGD
SCHEMBL1808920 0.93 ALDH1A1 (0.48) ALDH1A1NPC1TDP1L3MBTL1HPGD
SCHEMBL1808916 0.93 ALDH1A1 (0.48) ALDH1A1NPC1TDP1L3MBTL1HPGD
SCHEMBL1808928 0.90 HPGD (0.45) ALDH1A1TDP1L3MBTL1HPGDPOLB
SCHEMBL1808927 0.90 HPGD (0.45) ALDH1A1TDP1L3MBTL1HPGDPOLB
SCHEMBL1811679 0.87 ALDH1A1 (0.46) ALDH1A1NPC1TDP1L3MBTL1HPGD
SCHEMBL1811675 0.87 ALDH1A1 (0.46) ALDH1A1NPC1TDP1L3MBTL1HPGD
SCHEMBL1810358 0.86 ALDH1A1 (0.43) ALDH1A1NPC1TDP1L3MBTL1HPGD

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 2661/4885NPC1 668/4885TDP1 3997/4885

“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.