SCHEMBL5160884

SCHEMBL5160884

COC(=O)CCc1cnc(N2CCC[C@H]2COC(C)C(=O)OC(C)(C)C)s1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.32
ADORA2A P29274 2/20 0.31
ADORA1 P30542 2/20 0.31
LMNA P02545 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL5162622 0.86 HRH3 (0.33) HRH3LMNATDP1
SCHEMBL5162866 0.85 ADORA2A (0.33) HRH3ADORA2AADORA1
Hydrochloric Acid SCHEMBL5163245 0.82 ADORA2A (0.42) ADORA2AADORA1
Hydrochloric Acid SCHEMBL5161302 0.80 ADORA2A (0.38) HRH3ADORA2AADORA1
Hydrochloric Acid SCHEMBL5424240 0.79 HRH3 (0.36) HRH3ADORA2AADORA1
SCHEMBL5162632 0.77 HRH3 (0.41) HRH3LMNATDP1
SCHEMBL5161461 0.77 HRH3 (0.32) HRH3
SCHEMBL5161501 0.75 HRH3 (0.37) HRH3LMNATDP1
SCHEMBL5418198 0.75 HRH3 (0.37) HRH3LMNATDP1
Hydrochloric Acid SCHEMBL5160752 0.75 HRH3 (0.37) HRH3LMNATDP1

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 468/4885ADORA2A 3707/4885ADORA1 1528/4885

“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.