SCHEMBL5161507

SCHEMBL5161507

COC(=O)CCc1cnc(N2CC[C@H](F)C2)s1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.40
TMPRSS15 P98073 6/20 0.39
CHRM4 P08173 1/20 0.38
ALDH1A1 P00352 3/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
F9 P00740 1/20 0.37
F10 P00742 1/20 0.37
AOC3 Q16853 1/20 0.37
GAA P10253 1/20 0.36

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
Hydrochloric Acid SCHEMBL5160939 0.99 HRH3 (0.39) HRH3TMPRSS15CHRM4ALDH1A1MEN1
SCHEMBL5418202 0.87 HRH3 (0.44) HRH3TMPRSS15ALDH1A1AOC3
Hydrochloric Acid SCHEMBL5161930 0.86 HRH3 (0.43) HRH3TMPRSS15ALDH1A1AOC3GAA
Hydrochloric Acid SCHEMBL5158987 0.86 HRH3 (0.43) HRH3TMPRSS15ALDH1A1AOC3GAA
SCHEMBL5160264 0.84 HRH3 (0.46) HRH3TMPRSS15ALDH1A1MEN1KMT2A
SCHEMBL5163240 0.84 HRH3 (0.42) HRH3TMPRSS15ALDH1A1
SCHEMBL5163538 0.84 OPRK1 (0.44) HRH3ALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL5160760 0.83 HRH3 (0.45) HRH3TMPRSS15ALDH1A1
Hydrochloric Acid SCHEMBL5161121 0.83 HRH3 (0.43) HRH3TMPRSS15ALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL5163218 0.83 TMPRSS15 (0.37) HRH3TMPRSS15ALDH1A1GAA

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 468/4885TMPRSS15 1554/4885CHRM4 787/4885

“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.