SCHEMBL10115969

SCHEMBL10115969

CCc1c(N2C[C@@H](C)O[C@@H](C)C2)ccc(NC(=O)N2CCC(NS(=O)(=O)C(C)C)CC2)c1F

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCR8 P51685 8/20 0.36
USP30 Q70CQ3 2/20 0.36
HTT P42858 1/20 0.34
THRB P10828 1/20 0.34
OPRM1 P35372 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
TRPV1 Q8NER1 1/20 0.32

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
SCHEMBL10133628 1.00 CCR8 (0.36) CCR8USP30HTTTHRBOPRM1
SCHEMBL10115894 0.90 USP30 (0.38) CCR8USP30HTTTHRBOPRM1
SCHEMBL13204634 0.89 CCR8 (0.38) CCR8USP30HTTTHRBOPRM1
SCHEMBL12882370 0.89 CCR8 (0.38) CCR8USP30HTTTHRBOPRM1
SCHEMBL10133591 0.89 USP30 (0.37) CCR8USP30HTTTHRBOPRM1
SCHEMBL10115968 0.89 USP30 (0.37) CCR8USP30HTTTHRBOPRM1
SCHEMBL10133826 0.85 HTT (0.38) CCR8USP30HTTTHRBOPRM1
SCHEMBL10115612 0.85 HTT (0.38) CCR8USP30HTTTHRBOPRM1
SCHEMBL10133524 0.84 OPRM1 (0.41) USP30HTTOPRM1KMT2A
SCHEMBL10115882 0.84 OPRM1 (0.41) USP30HTTOPRM1KMT2A

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 CCR8 429/4885USP30 3635/4885HTT 2081/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R CCR8 394/4885USP30 3882/4885HTT 1904/4885

“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.