SCHEMBL10115567

SCHEMBL10115567

C[C@@H]1CN(c2c(F)c(F)c(NC(=O)N3CCC(NS(=O)(=O)C(C)(C)C)CC3)c(F)c2F)C[C@H](C)O1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 3/20 0.33
NPY5R Q15761 1/20 0.32
LMNA P02545 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
ALDH1A1 P00352 1/20 0.31
CCR8 P51685 3/20 0.31
KMT2A Q03164 2/20 0.30
NAMPT P43490 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
SCHEMBL10133271 1.00 USP30 (0.33) USP30NPY5RLMNANPSR1ALDH1A1
SCHEMBL10133525 0.87 USP30 (0.33) USP30ALDH1A1
SCHEMBL10115899 0.87 USP30 (0.33) USP30ALDH1A1
SCHEMBL14424161 0.84 NPY5R (0.45) USP30NPY5R
SCHEMBL13204150 0.84 NPY5R (0.45) USP30NPY5R
SCHEMBL10114350 0.84 NPY5R (0.45) USP30NPY5R
SCHEMBL10133397 0.84 NPY5R (0.45) USP30NPY5R
SCHEMBL12882638 0.84 USP2 (0.38) USP30LMNANPSR1ALDH1A1KMT2A
SCHEMBL12882637 0.81 LMNA (0.40) LMNANPSR1ALDH1A1CCR8KMT2A
SCHEMBL10115564 0.81 USP30 (0.39) USP30NPY5RLMNANPSR1ALDH1A1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8115027-B2 NPY Y5 antagonist SHIONOGI & CO., LTD. (JP) 2012-02-14 US disclosed
US-20100292500-A1 NPY Y5 ANTAGONIST KAWANISHI YASUYUKI 2010-11-18 US disclosed
US-7781461-B2 NPY Y5 antagonist KAWANISHI YASUYUKI 2010-08-24 US disclosed
US-7265130-B2 NPY Y5 antagonist SHIONOGI & CO., LTD. (JP) 2007-09-04 US disclosed
US-7265130-B2 NPY Y5 antagonist SHIONOGI & CO., LTD. (JP) 2007-09-04 US disclosed
US-20070015762-A1 NPY Y5 antagonist KAWANISHI YASUYUKI 2007-01-18 US disclosed
US-20070015762-A1 NPY Y5 antagonist KAWANISHI YASUYUKI 2007-01-18 US 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 (2 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-20070015762-A1 NPY Y5 antagonist NPY5R, NPY1R, NPY2R USP30 3635/4885NPY5R 1/4885LMNA 1925/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R USP30 3882/4885NPY5R 1/4885LMNA 2068/4885

“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.