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SCHEMBL10115564

SCHEMBL10115564

C[C@@H]1CN(c2ccc(NC(=O)N3CCC(NS(=O)(=O)C(C)(C)C)CC3)c(F)c2F)C[C@H](C)O1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ USP30 Q70CQ3 2/20 0.39
▸ HTT P42858 1/20 0.37
▸ CCR8 P51685 8/20 0.37
▸ OPRM1 P35372 1/20 0.36
▸ THRB P10828 1/20 0.35
▸ LMNA P02545 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ NPY5R Q15761 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ PANK3 Q9H999 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.33

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
SCHEMBL13204633 0.93 CCR8 (0.38) USP30HTTCCR8OPRM1THRB
SCHEMBL12882369 0.93 CCR8 (0.38) USP30HTTCCR8OPRM1THRB
SCHEMBL12882370 0.90 CCR8 (0.38) USP30HTTCCR8OPRM1THRB
SCHEMBL13204634 0.90 CCR8 (0.38) USP30HTTCCR8OPRM1THRB
SCHEMBL10115569 0.88 OPRM1 (0.41) USP30HTTCCR8OPRM1ALDH1A1
SCHEMBL10115894 0.88 USP30 (0.38) USP30HTTCCR8OPRM1THRB
SCHEMBL10133273 0.88 OPRM1 (0.41) USP30HTTCCR8OPRM1ALDH1A1
SCHEMBL12882929 0.88 CCR8 (0.40) USP30HTTCCR8OPRM1THRB
SCHEMBL12882361 0.88 CCR8 (0.40) USP30HTTCCR8OPRM1THRB
SCHEMBL10115558 0.86 MAPT (0.41) USP30HTTCCR8OPRM1THRB

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 11 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-8115027-B2 NPY Y5 antagonist SHIONOGI & CO., LTD. (JP) 2012-02-14 — — US disclosed
US-20110039802-A1 NPY Y5 ANTAGONIST KAWANISHI YASUYUKI 2011-02-17 — — US disclosed
US-20100292500-A1 NPY Y5 ANTAGONIST KAWANISHI YASUYUKI 2010-11-18 — — 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-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 (3 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 3635/4885HTT 2081/4885CCR8 429/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R USP30 3882/4885HTT 1904/4885CCR8 394/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R USP30 3555/4885HTT 2095/4885CCR8 484/4885

“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.