SCHEMBL90918

SCHEMBL90918

CC(C)(C)S(=O)(=O)N[C@H]1CC[C@H](c2cc3cc(Cl)ncc3[nH]2)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 1/20 0.36
BRD4 O60885 1/20 0.33
CHEK1 O14757 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CDC7 O00311 1/20 0.31
DAPK3 O43293 1/20 0.31
ROCK2 O75116 1/20 0.31
MAP4K4 O95819 1/20 0.31
PAK4 O96013 1/20 0.31
PRKACA P17612 1/20 0.31
CDK2 P24941 1/20 0.31
FLT3 P36888 1/20 0.31
CSNK1A1 P48729 1/20 0.31
CLK2 P49760 1/20 0.31
GSK3B P49841 1/20 0.31
CDK7 P50613 1/20 0.31
CDK9 P50750 1/20 0.31
PRKX P51817 1/20 0.31
JAK3 P52333 1/20 0.31
CDK5 Q00535 1/20 0.31

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
SCHEMBL90914 0.80 NPY5R (0.34) NPY5RBRD4ALDH1A1CDC7DAPK3
SCHEMBL91021 0.80 GRIA2 (0.40) NPY5R
SCHEMBL90938 0.79 KCNH2 (0.35) NPY5RBRD4ALDH1A1IKBKBCHUK
SCHEMBL8577264 0.78 NPY5R (0.34) NPY5RBRD4IKBKBCHUKSMO
SCHEMBL91025 0.77 IKBKB (0.39) NPY5RBRD4CDK9IKBKBCHUK
SCHEMBL90916 0.77 IKBKB (0.36) NPY5RBRD4ALDH1A1CDC7DAPK3
SCHEMBL90993 0.76 CDK9 (0.33) NPY5RBRD4CDC7DAPK3ROCK2
SCHEMBL90912 0.76 ABL1 (0.38) NPY5RGSK3BDYRK1AIKBKBCHUK
SCHEMBL8528320 0.76 NPY5R (0.45) NPY5RBRD4PYGL
SCHEMBL4247521 0.75 CHEK1 (0.39) CHEK1CDK9PYGL

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 NPY5R 1/4885BRD4 482/4885CHEK1 4709/4885
US-20110028468-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R NPY5R 1/4885BRD4 482/4885CHEK1 4709/4885

“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.