SCHEMBL1811997

SCHEMBL1811997

O=C(CSc1nnc(S)s1)NC[C@H]1CN(Cc2ccc(Cl)c(Cl)c2)CCO1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 6/20 0.53
ALDH1A1 P00352 3/20 0.52
CCR1 P32246 4/20 0.45
DRD4 P21917 3/20 0.44
L3MBTL1 Q9Y468 1/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 1/20 0.42
HPGD P15428 1/20 0.42
APOBEC3A P31941 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
HTR1A P08908 1/20 0.41
ADRA2A P08913 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
CYP2C9 P11712 1/20 0.41
ADRA2B P18089 1/20 0.41

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
SCHEMBL1811993 1.00 CCR3 (0.53) CCR3ALDH1A1CCR1DRD4L3MBTL1
SCHEMBL1812042 0.92 ALDH1A1 (0.54) CCR3ALDH1A1CCR1DRD4L3MBTL1
SCHEMBL1812036 0.92 ALDH1A1 (0.54) CCR3ALDH1A1CCR1DRD4L3MBTL1
SCHEMBL1807357 0.91 CCR3 (0.55) CCR3ALDH1A1CCR1DRD4L3MBTL1
SCHEMBL1810526 0.91 CCR3 (0.57) CCR3ALDH1A1CCR1DRD4L3MBTL1
SCHEMBL1808602 0.91 CCR3 (0.53) CCR3ALDH1A1CCR1DRD4L3MBTL1
SCHEMBL1807347 0.91 CCR3 (0.55) CCR3ALDH1A1CCR1DRD4L3MBTL1
SCHEMBL1809975 0.91 CCR3 (0.53) CCR3ALDH1A1CCR1DRD4L3MBTL1
SCHEMBL1810522 0.91 CCR3 (0.57) CCR3ALDH1A1CCR1DRD4L3MBTL1
SCHEMBL1808599 0.91 CCR3 (0.53) CCR3ALDH1A1CCR1DRD4L3MBTL1

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 CCR3 1/4885ALDH1A1 2661/4885CCR1 2/4885

“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.