SCHEMBL5164431

SCHEMBL5164431

COC(=O)CCc1cnc(N2CC[C@H](OC3(C(=O)OC(C)(C)C)CCC3)C2)s1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.37
SCD O00767 2/20 0.33
ALDH1A1 P00352 4/20 0.32
TMPRSS15 P98073 3/20 0.32
GPR119 Q8TDV5 1/20 0.32
GAA P10253 1/20 0.32
FPR3 P25089 2/20 0.31
FPR2 P25090 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MAPK1 P28482 1/20 0.31
DGAT1 O75907 1/20 0.30
KDM4E B2RXH2 1/20 0.30
LMNA P02545 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
SCHEMBL5418202 0.81 HRH3 (0.44) HRH3SCDALDH1A1TMPRSS15
SCHEMBL5162632 0.80 HRH3 (0.41) HRH3SCDALDH1A1TMPRSS15GAA
SCHEMBL5160264 0.80 HRH3 (0.46) HRH3SCDALDH1A1TMPRSS15GAA
Hydrochloric Acid SCHEMBL5161930 0.80 HRH3 (0.43) HRH3SCDALDH1A1TMPRSS15GAA
Hydrochloric Acid SCHEMBL5158987 0.80 HRH3 (0.43) HRH3SCDALDH1A1TMPRSS15GAA
Hydrochloric Acid SCHEMBL5161121 0.78 HRH3 (0.43) HRH3SCDALDH1A1TMPRSS15GAA
SCHEMBL5163240 0.78 HRH3 (0.42) HRH3SCDALDH1A1TMPRSS15SMN1; SMN2
SCHEMBL5161507 0.77 HRH3 (0.40) HRH3ALDH1A1TMPRSS15GAAMEN1
Hydrochloric Acid SCHEMBL5160939 0.77 HRH3 (0.39) HRH3ALDH1A1TMPRSS15GAAMEN1
Hydrochloric Acid SCHEMBL5160760 0.76 HRH3 (0.45) HRH3SCDALDH1A1TMPRSS15SMN1; SMN2

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 468/4885SCD 3538/4885ALDH1A1 471/4885

“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.