SCHEMBL5160860

SCHEMBL5160860

CCOC(=O)CCn1nnc([C@@H]2CCCN2C(=O)OCc2ccccc2)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 8/20 0.55
SIGMAR1 Q99720 8/20 0.55
AADAT Q8N5Z0 1/20 0.45
TSHR P16473 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.44
ALDH1A1 P00352 1/20 0.43
SLC6A2 P23975 2/20 0.42
HRH2 P25021 2/20 0.42
HRH1 P35367 2/20 0.42
HTR1A P08908 1/20 0.42
CHRM5 P08912 1/20 0.42
ADRA1D P25100 1/20 0.42
HTR1B P28222 1/20 0.42
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
HTR1E P28566 1/20 0.42
HTR2B P41595 1/20 0.42
SLC6A3 Q01959 1/20 0.42

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
SCHEMBL2996181 0.83 TMEM97 (0.51) TMEM97SIGMAR1AADATPREPACE2
SCHEMBL2996185 0.83 TMEM97 (0.51) TMEM97SIGMAR1AADATPREPACE2
SCHEMBL13374850 0.80 AADAT (0.45) TMEM97SIGMAR1AADATTSHRLMNA
SCHEMBL2988175 0.79 AADAT (0.53) TMEM97SIGMAR1AADATPREPACE2
SCHEMBL582341 0.76 SIGMAR1 (0.45) TMEM97SIGMAR1
SCHEMBL29277932 0.75 PREP (0.52) TMEM97SIGMAR1AADATTSHRL3MBTL1
SCHEMBL586771 0.74 SIGMAR1 (0.43) TMEM97SIGMAR1
SCHEMBL1357534 0.74 TSHR (0.47) TSHRL3MBTL1LMNAALDH1A1
SCHEMBL1357532 0.74 TSHR (0.47) TSHRL3MBTL1LMNAALDH1A1
SCHEMBL2991989 0.74 TMEM97 (0.51) TMEM97SIGMAR1AADATTSHRL3MBTL1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070232601-A1 Vla-4 Inhibitor DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-10-04 US disclosed
US-20070232601-A1 Vla-4 Inhibitor DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-10-04 US disclosed
EP-1757602-A1 VLA-4 INHIBITOR DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-02-28 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-20070232601-A1 Vla-4 Inhibitor VCAM1, ITGB4, ITGA4 TMEM97 1394/4885SIGMAR1 2481/4885AADAT 2105/4885

“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.