SCHEMBL5158325

SCHEMBL5158325

COC(=O)CCc1cnc([C@@H]2CC3CCCCC3N2C(=O)OC(C)(C)C)s1

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.32
PREP P48147 3/20 0.32
CHRM2 P08172 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
ADORA2A P29274 1/20 0.30
ADORA1 P30542 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
GCK P35557 1/20 0.30
GPR119 Q8TDV5 2/20 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
SCHEMBL14371776 1.00 ALDH1A1 (0.32) ALDH1A1PREPCHRM2CHRM1CHRM3
SCHEMBL5160587 0.82 ALDH1A1 (0.43) ALDH1A1MAPT
SCHEMBL6178048 0.82 ALDH1A1 (0.43) ALDH1A1MAPT
SCHEMBL5412847 0.81 GPR119 (0.34) ALDH1A1PREPCHRM2CHRM1CHRM3
SCHEMBL14371767 0.81 GCK (0.31) GCK
Hydrochloric Acid SCHEMBL5160519 0.81 ALDH1A1 (0.42) ALDH1A1MAPT
SCHEMBL5158330 0.80 SCN5A (0.31) ALDH1A1MAPTHPGD
SCHEMBL14371755 0.79 ALDH1A1 (0.30) ALDH1A1GCK
SCHEMBL5160579 0.78 CYP1A2 (0.37) ALDH1A1CHRM2CHRM1CHRM3GPR119
SCHEMBL14371739 0.78 GCK (0.32) ALDH1A1GCKGPR119

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 ALDH1A1 471/4885PREP 2026/4885CHRM2 1726/4885

“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.