SCHEMBL90939

SCHEMBL90939

CC(C)(C)S(=O)(=O)N[C@H]1CC[C@H](c2cc(-c3ccc(C#N)cc3)n[nH]2)CC1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 8/20 0.52
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
MKNK1 Q9BUB5 2/20 0.43
MKNK2 Q9HBH9 2/20 0.43
DRD4 P21917 1/20 0.41
SRC P12931 2/20 0.41
CCNA2 P20248 2/20 0.41
CDK2 P24941 2/20 0.41
GSK3B P49841 2/20 0.41
CCR5 P51681 1/20 0.40
HTT P42858 1/20 0.40
HSD11B1 P28845 1/20 0.37

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
SCHEMBL91001 0.89 USP30 (0.54) USP30MEN1KMT2ASRCCCNA2
SCHEMBL8594304 0.86 MKNK1 (0.40) USP30MEN1KMT2AMKNK1MKNK2
SCHEMBL91004 0.86 DRD4 (0.57) MEN1KMT2AMKNK1MKNK2DRD4
SCHEMBL91023 0.86 MKNK1 (0.57) MEN1KMT2AMKNK1MKNK2DRD4
SCHEMBL90870 0.85 DRD4 (0.48) USP30MEN1KMT2AMKNK1MKNK2
SCHEMBL8547726 0.85 MKNK1 (0.39) USP30MEN1KMT2AMKNK1MKNK2
SCHEMBL91005 0.84 MEN1 (0.61) USP30MEN1KMT2ADRD4CCNA2
SCHEMBL8576803 0.81 SCN9A (0.38) USP30MEN1KMT2ACCNA2CDK2
SCHEMBL90983 0.80 DRD2 (0.50) USP30MEN1KMT2AMKNK1MKNK2
SCHEMBL90995 0.79 MEN1 (0.46) USP30MEN1KMT2AMKNK1MKNK2

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 USP30 4154/4885MEN1 2264/4885KMT2A 2284/4885
US-20110028468-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R USP30 4154/4885MEN1 2264/4885KMT2A 2284/4885

“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.