SCHEMBL1808486

SCHEMBL1808486

O=C(O)CCCSC1CCCC1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.42
ALDH1A1 P00352 6/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
GAA P10253 1/20 0.41
RAB9A P51151 1/20 0.41
LMNA P02545 6/20 0.40
SLC22A6 Q4U2R8 1/20 0.40
EPHX2 P34913 1/20 0.40
KMT2A Q03164 3/20 0.39
NFKB1 P19838 1/20 0.39
PMP22 Q01453 1/20 0.39
MAPT P10636 2/20 0.38
EPHX1 P07099 1/20 0.38
HTT P42858 2/20 0.36
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CAMK2A Q9UQM7 1/20 0.36
MEN1 O00255 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
SCHEMBL9264204 0.90 EPHX1 (0.45) TSHRALDH1A1SMN1; SMN2GAARAB9A
SCHEMBL11436132 0.87 TSHR (0.46) TSHRALDH1A1SMN1; SMN2GAARAB9A
SCHEMBL6704692 0.85 ALDH1A1 (0.46) TSHRALDH1A1SMN1; SMN2GAARAB9A
SCHEMBL25223203 0.78
SCHEMBL2184696 0.74 CYP1A2 (0.46) TSHRALDH1A1SMN1; SMN2GAARAB9A
SCHEMBL1148956 0.73 GBA1 (0.38) ALDH1A1SMN1; SMN2GAARAB9ALMNA
SCHEMBL3706423 0.73 KMT2A (0.43) TSHRALDH1A1SMN1; SMN2GAARAB9A
SCHEMBL1200818 0.71 KMT2A (0.46) TSHRALDH1A1SMN1; SMN2GAARAB9A
SCHEMBL24564744 0.71 KMT2A (0.46) TSHRALDH1A1SMN1; SMN2GAARAB9A
SCHEMBL8150738 0.71 GBA1 (0.41) ALDH1A1SMN1; SMN2GAARAB9ALMNA

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 TSHR 3317/4885ALDH1A1 2661/4885SMN1; SMN2 932/4885

“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.