SCHEMBL1811596

SCHEMBL1811596

N#Cc1ccc(-c2csc(SCC(=O)NCC3CN(Cc4ccc(Cl)c(Cl)c4)CCO3)n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
CCR3 P51677 4/20 0.46
DRD4 P21917 5/20 0.41
CCR1 P32246 3/20 0.41
POLB P06746 2/20 0.40
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
MAPT P10636 1/20 0.38
RORC P51449 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
HPGD P15428 1/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
HTR1A P08908 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
SCHEMBL1811598 1.00 ALDH1A1 (0.47) ALDH1A1CCR3DRD4CCR1POLB
SCHEMBL1809843 0.92 ALDH1A1 (0.47) ALDH1A1CCR3DRD4CCR1RAB9A
SCHEMBL1809840 0.92 ALDH1A1 (0.47) ALDH1A1CCR3DRD4CCR1RAB9A
SCHEMBL1808563 0.90 ALDH1A1 (0.50) ALDH1A1CCR3DRD4CCR1POLB
SCHEMBL1808565 0.90 ALDH1A1 (0.50) ALDH1A1CCR3DRD4CCR1POLB
SCHEMBL1806567 0.90 CCR3 (0.51) ALDH1A1CCR3DRD4CCR1POLB
SCHEMBL1806560 0.90 CCR3 (0.51) ALDH1A1CCR3DRD4CCR1POLB
SCHEMBL14514860 0.89 CCR3 (0.51) ALDH1A1CCR3DRD4CCR1POLB
SCHEMBL1810622 0.89 CCR3 (0.60) ALDH1A1CCR3DRD4CCR1POLB
SCHEMBL1810625 0.89 CCR3 (0.60) ALDH1A1CCR3DRD4CCR1POLB

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 2661/4885CCR3 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.