SCHEMBL5160179

SCHEMBL5160179

CCO[C@H]1CCCN1c1ncc(CCC(=O)OC)o1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.35
TSHR P16473 2/20 0.31
KDM4E B2RXH2 1/20 0.31
GAA P10253 1/20 0.31
HSD17B10 Q99714 1/20 0.31
ALDH1A1 P00352 2/20 0.31
CYP11B1 P15538 2/20 0.31
CYP11B2 P19099 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31

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
SCHEMBL5161808 0.90 HRH3 (0.37) HRH3ALDH1A1CYP11B1CYP11B2SMN1; SMN2
SCHEMBL5163233 0.79 HRH3 (0.35) HRH3KDM4EGAAALDH1A1SMN1; SMN2
SCHEMBL5160185 0.79 ACACB (0.36)
SCHEMBL5160073 0.77 HTT (0.39) TSHRALDH1A1CYP11B1CYP11B2SMN1; SMN2
SCHEMBL5161814 0.73 AOC3 (0.39)
SCHEMBL5418198 0.68 HRH3 (0.37) HRH3KDM4EGAAALDH1A1SMN1; SMN2
SCHEMBL14371867 0.68
Hydrochloric Acid SCHEMBL5158984 0.67 HRH3 (0.36) HRH3KDM4EGAAALDH1A1SMN1; SMN2
SCHEMBL14146107 0.67 CCNB2 (0.37) TSHRKDM4EHSD17B10ALDH1A1CYP11B1
SCHEMBL14146033 0.67 TSHR (0.39) TSHRKDM4EHSD17B10ALDH1A1CYP11B1

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 HRH3 468/4885TSHR 1572/4885KDM4E 1742/4885

“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.