SCHEMBL5160259

SCHEMBL5160259

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

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.36
ALDH1A1 P00352 8/20 0.34
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
RPS6KB2 Q9UBS0 1/20 0.32
AADAT Q8N5Z0 1/20 0.32
MAPK1 P28482 1/20 0.32
CHRNA7 P36544 1/20 0.32
LMNA P02545 2/20 0.32
KDM4E B2RXH2 1/20 0.32
TMPRSS15 P98073 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
TDP1 Q9NUW8 1/20 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
SCHEMBL5418198 0.90 HRH3 (0.37) HRH3ALDH1A1GAASMN1; SMN2MEN1
Hydrochloric Acid SCHEMBL5158984 0.89 HRH3 (0.36) HRH3ALDH1A1GAASMN1; SMN2MEN1
SCHEMBL5163233 0.87 HRH3 (0.35) HRH3ALDH1A1GAASMN1; SMN2MEN1
Hydrochloric Acid SCHEMBL5160752 0.85 HRH3 (0.37) HRH3ALDH1A1GAASMN1; SMN2MEN1
Hydrochloric Acid SCHEMBL5161124 0.85 HRH3 (0.37) HRH3ALDH1A1GAASMN1; SMN2MEN1
SCHEMBL5161501 0.84 HRH3 (0.37) HRH3ALDH1A1GAASMN1; SMN2MEN1
Hydrochloric Acid SCHEMBL5160932 0.83 HRH3 (0.36) HRH3ALDH1A1GAASMN1; SMN2MEN1
Hydrochloric Acid SCHEMBL5424240 0.82 HRH3 (0.36) HRH3ALDH1A1GAASMN1; SMN2MEN1
SCHEMBL5161461 0.81 HRH3 (0.32) HRH3ALDH1A1GAA
SCHEMBL5160264 0.81 HRH3 (0.46) HRH3ALDH1A1GAAMEN1KMT2A

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 468/4885ALDH1A1 471/4885GAA 3009/4885

“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.