SCHEMBL1808430

SCHEMBL1808430

CC(=O)Nc1nnc(SN(C[C@@H]2CN(Cc3cccc(Cl)c3)CCO2)C(C)=O)s1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
DRD4 P21917 3/20 0.43
ABL1 P00519 3/20 0.40
SRC P12931 3/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 2/20 0.40
ABCC8 Q09428 1/20 0.37
KCNJ11 Q14654 1/20 0.37
APOBEC3A P31941 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
APOBEC3G Q9HC16 1/20 0.37
MAPK1 P28482 2/20 0.36
HTT P42858 2/20 0.36
TP53 P04637 1/20 0.36
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 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
SCHEMBL1813495 0.91 CCR3 (0.43) ALDH1A1DRD4MAPTAPOBEC3ANPSR1
SCHEMBL1807184 0.90 DRD4 (0.44) ALDH1A1DRD4LMNAMAPTAPOBEC3A
SCHEMBL1809470 0.88 DRD4 (0.42) ALDH1A1DRD4MAPTAPOBEC3ANPSR1
SCHEMBL1808308 0.88 DRD4 (0.45) DRD4HTTKDM4EMEN1KMT2A
SCHEMBL1809273 0.83 CCR3 (0.44) ALDH1A1DRD4LMNAMAPTHTT
SCHEMBL1808432 0.82 ALDH1A1 (0.57) ALDH1A1MAPTAPOBEC3ANPSR1APOBEC3G
SCHEMBL1808435 0.82 ALDH1A1 (0.57) ALDH1A1MAPTAPOBEC3ANPSR1APOBEC3G
SCHEMBL1811262 0.81 CCR3 (0.41) ALDH1A1DRD4LMNAMAPTHTT
SCHEMBL1808801 0.81 CCR3 (0.43) ALDH1A1DRD4LMNAMAPTMAPK1
SCHEMBL1805899 0.79 DRD4 (0.44) DRD4MAPTHTTKDM4EMEN1

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 2661/4885DRD4 768/4885ABL1 3522/4885

“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.