SCHEMBL90860

SCHEMBL90860

CC(C)(C)S(=O)(=O)N[C@H]1CC[C@H](c2cc(-c3ccccn3)c[nH]2)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR6 P51684 1/20 0.37
SMO Q99835 6/20 0.36
NPY5R Q15761 1/20 0.35
CDC7 O00311 2/20 0.35
DAPK3 O43293 2/20 0.35
ROCK2 O75116 2/20 0.35
MAP4K4 O95819 2/20 0.35
PAK4 O96013 2/20 0.35
PRKACA P17612 2/20 0.35
CDK2 P24941 2/20 0.35
FLT3 P36888 2/20 0.35
CLK2 P49760 2/20 0.35
GSK3B P49841 2/20 0.35
CDK9 P50750 2/20 0.35
PRKX P51817 2/20 0.35
JAK3 P52333 2/20 0.35
CDK5 Q00535 2/20 0.35
MAP4K2 Q12851 2/20 0.35
STK3 Q13188 2/20 0.35
DYRK1A Q13627 2/20 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
SCHEMBL90897 0.83 ABL1 (0.36) CCR6SMONPY5RGSK3BDYRK1A
SCHEMBL8572135 0.83 NPY5R (0.36) CCR6SMONPY5RGSK3BDYRK1A
SCHEMBL91022 0.81 SMO (0.37) CCR6SMONPY5RPDK2PDK4
SCHEMBL8596030 0.80 PDK2 (0.39) SMONPY5RCDC7DAPK3ROCK2
SCHEMBL90833 0.78 PIM1 (0.39) NPY5RMAP4K4STK3PIM1
SCHEMBL90850 0.78 PDK2 (0.43) SMONPY5RCDC7DAPK3ROCK2
SCHEMBL90921 0.77 SMO (0.37) SMONPY5RPDK2PDK4
SCHEMBL90911 0.77 SMO (0.36) SMONPY5RPDK2PDK4
SCHEMBL8526567 0.77 PDK2 (0.41) SMONPY5RCDC7DAPK3ROCK2
SCHEMBL90942 0.75 PDK2 (0.38) SMONPY5RCDC7DAPK3ROCK2

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 CCR6 1761/4885SMO 1772/4885NPY5R 1/4885
US-20110028468-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R CCR6 1761/4885SMO 1772/4885NPY5R 1/4885

“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.