SCHEMBL5160189

SCHEMBL5160189

COC(=O)CCC(=O)CNC(=O)N1CCC[C@@H]1OC(C)C(=O)OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 7/20 0.46
HTT P42858 1/20 0.45
PREP P48147 5/20 0.42
ACE2 Q9BYF1 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP3A4 P08684 1/20 0.40
TSHR P16473 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
KMT2A Q03164 1/20 0.39
PRCP P42785 1/20 0.39

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
SCHEMBL5160339 0.82 HCRTR2 (0.32) KMT2A
SCHEMBL5160202 0.81 HTT (0.47) FKBP1AHTTKMT2A
SCHEMBL5160073 0.72 HTT (0.39) FKBP1AHTTPREPACE2ALDH1A1
SCHEMBL19182782 0.71 HTT (0.54) HTTALDH1A1NPSR1
SCHEMBL5163745 0.71 HTT (0.48) FKBP1AHTTPREPALDH1A1CYP3A4
SCHEMBL15561301 0.70 HTT (0.47) HTTALDH1A1
SCHEMBL11584633 0.68 PRCP (0.68) PREPALDH1A1CYP3A4TSHRNPSR1
SCHEMBL2768429 0.67 PREP (0.60) PREPACE2ALDH1A1TSHRNPSR1
SCHEMBL23034568 0.67 CYP3A4 (0.47) FKBP1AALDH1A1CYP3A4TSHRKMT2A
SCHEMBL26447162 0.66 ALDH1A1 (0.50) HTTALDH1A1KMT2A

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 2 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
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 FKBP1A 1684/4885HTT 3765/4885PREP 2026/4885

“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.