SCHEMBL91022

SCHEMBL91022

CC(C)(C)S(=O)(=O)N[C@H]1CC[C@H](c2cc3cc(-c4ccccn4)cnc3[nH]2)CC1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMO Q99835 5/20 0.37
ULK1 O75385 1/20 0.36
AXL P30530 1/20 0.35
PDK2 Q15119 1/20 0.35
PDK4 Q16654 1/20 0.35
NPY5R Q15761 1/20 0.35
ABL1 P00519 1/20 0.34
IKBKB O14920 2/20 0.34
CHUK O15111 2/20 0.34
CCR6 P51684 1/20 0.34
CHEK1 O14757 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
SCHEMBL90897 0.86 ABL1 (0.36) SMOPDK2PDK4NPY5RABL1
SCHEMBL90921 0.85 SMO (0.37) SMOPDK2PDK4NPY5RIKBKB
SCHEMBL8572135 0.85 NPY5R (0.36) SMOPDK2PDK4NPY5RABL1
SCHEMBL90850 0.82 PDK2 (0.43) SMOAXLPDK2PDK4NPY5R
SCHEMBL90860 0.81 CCR6 (0.37) SMOAXLPDK2PDK4NPY5R
SCHEMBL8596030 0.80 PDK2 (0.39) SMOPDK2PDK4NPY5RIKBKB
SCHEMBL90911 0.79 SMO (0.36) SMOPDK2PDK4NPY5R
SCHEMBL8554483 0.79 PDK2 (0.37) SMOAXLPDK2PDK4NPY5R
SCHEMBL90861 0.78 NPY5R (0.49) SMOULK1NPY5RIKBKBCHUK
SCHEMBL90942 0.77 PDK2 (0.38) SMOPDK2PDK4NPY5RIKBKB

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 SMO 1772/4885ULK1 4354/4885AXL 474/4885
US-20110028468-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R SMO 1772/4885ULK1 4354/4885AXL 474/4885

“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.