SCHEMBL90986

SCHEMBL90986

CC(C)(C)S(=O)(=O)N[C@H]1CC[C@H](c2nc(-c3cccc(C#N)c3)c[nH]2)CC1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 8/20 0.38
USP30 Q70CQ3 1/20 0.38
KDM1A O60341 1/20 0.37
PSD A5PKW4 2/20 0.37
XDH P47989 1/20 0.36
CCR6 P51684 1/20 0.35
CTPS1 P17812 1/20 0.35

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
SCHEMBL90997 0.85 NPY5R (0.35) KDM1A
SCHEMBL90906 0.85 HSD11B1 (0.39) LRRK2
SCHEMBL91001 0.83 USP30 (0.54) USP30
SCHEMBL90975 0.83 PLK1 (0.40) KDM1A
SCHEMBL91031 0.83 KDM1A (0.49) KDM1AXDH
SCHEMBL71885 0.82 PIK3CD (0.43) KDM1ACTPS1
SCHEMBL8527347 0.81 WDR5 (0.37)
SCHEMBL90992 0.81 TYRO3 (0.40) XDH
SCHEMBL71049 0.81 KIT (0.47) USP30CCR6
SCHEMBL90866 0.80 ABL1 (0.36)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8299066-B2 Compounds having NPY Y5 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2012-10-30 US disclosed
US-20120130070-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY SHIONOGI & CO., LTD. (JP) 2012-05-24 US disclosed
US-8129372-B2 Compounds having NPY Y5 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2012-03-06 US disclosed
US-20110028468-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY Shinonogi & Co., Ltd (JP) 2011-02-03 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-20120130070-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R LRRK2 2266/4885USP30 4154/4885KDM1A 2044/4885
US-20110028468-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R LRRK2 2266/4885USP30 4154/4885KDM1A 2044/4885

“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.