SCHEMBL5160083

SCHEMBL5160083

COC(=O)CCc1cnc([C@@H]2CCCN2N2CC(OC)C2)s1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.33
GCK P35557 1/20 0.33
ALDH1A1 P00352 3/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
DGAT2 Q96PD7 1/20 0.32
CNR2 P34972 1/20 0.32
OGA O60502 5/20 0.31
HTT P42858 1/20 0.31
RPS6KB2 Q9UBS0 1/20 0.31
TRPV1 Q8NER1 1/20 0.31
OPRK1 P41145 1/20 0.30
POLB P06746 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
SCHEMBL5160807 0.91 SMN1; SMN2 (0.33) HRH3SMN1; SMN2GCKALDH1A1MAPT
SCHEMBL5163224 0.84 HRH3 (0.33) HRH3SMN1; SMN2GCKALDH1A1MAPT
Hydrochloric Acid SCHEMBL5160056 0.81 HPGDS (0.33) HRH3SMN1; SMN2OGAHTTTRPV1
Hydrochloric Acid SCHEMBL5161217 0.81 HPGDS (0.33) HRH3SMN1; SMN2OGAHTTTRPV1
SCHEMBL27542566 0.80 TRPV1 (0.41) HRH3GCKALDH1A1TRPV1POLB
SCHEMBL6178048 0.77 ALDH1A1 (0.43) ALDH1A1MAPTHTT
SCHEMBL5160587 0.77 ALDH1A1 (0.43) ALDH1A1MAPTHTT
Hydrochloric Acid SCHEMBL5160519 0.76 ALDH1A1 (0.42) ALDH1A1MAPTHTT
SCHEMBL5162229 0.75 HRH3 (0.33) HRH3SMN1; SMN2GCKALDH1A1RPS6KB2
SCHEMBL5418202 0.75 HRH3 (0.44) HRH3ALDH1A1

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 468/4885SMN1; SMN2 3016/4885GCK 4432/4885

“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.