SCHEMBL5162229

SCHEMBL5162229

COC(=O)CCc1cnc([C@@H]2CCCN2OCC(=O)OC(C)(C)C)s1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.33
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
GCK P35557 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CCNB2 O95067 1/20 0.30
CCNE2 O96020 1/20 0.30
CDK1 P06493 1/20 0.30
CDK4 P11802 1/20 0.30
CCNB1 P14635 1/20 0.30
CCND1 P24385 1/20 0.30
CCNE1 P24864 1/20 0.30
CDK2 P24941 1/20 0.30
CCNB3 Q8WWL7 1/20 0.30
RPS6KB2 Q9UBS0 1/20 0.30
ALOX5AP P20292 1/20 0.30
FEN1 P39748 1/20 0.30
TRPV1 Q8NER1 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
SCHEMBL5160587 0.84 ALDH1A1 (0.43) MEN1KMT2AALDH1A1
SCHEMBL6178048 0.84 ALDH1A1 (0.43) MEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL5160519 0.83 ALDH1A1 (0.42) MEN1KMT2AALDH1A1
SCHEMBL5160887 0.78 SMN1; SMN2 (0.32) HRH3SMN1; SMN2ALDH1A1
SCHEMBL5162866 0.77 ADORA2A (0.33) HRH3ALDH1A1
SCHEMBL14371776 0.76 ALDH1A1 (0.32) GCKALDH1A1
SCHEMBL5158325 0.76 ALDH1A1 (0.32) GCKALDH1A1
SCHEMBL14371767 0.76 GCK (0.31) GCKRPS6KB2
SCHEMBL14400254 0.75 GPR119 (0.34) HRH3GLSALDH1A1
SCHEMBL5160083 0.75 HRH3 (0.34) HRH3GCKSMN1; SMN2RPS6KB2TRPV1

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 468/4885MEN1 711/4885NPC1 907/4885

“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.