SCHEMBL90916

SCHEMBL90916

CC(C)(C)S(=O)(=O)N[C@H]1CC[C@H](c2cc3cc(-c4ncccn4)ccc3[nH]2)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 5/20 0.36
CHUK O15111 5/20 0.36
NPY5R Q15761 1/20 0.34
BRD4 O60885 5/20 0.33
BRD2 P25440 1/20 0.33
BRD3 Q15059 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
MCOLN3 Q8TDD5 1/20 0.33
CDC7 O00311 1/20 0.33
DAPK3 O43293 1/20 0.33
ROCK2 O75116 1/20 0.33
PRKD3 O94806 1/20 0.33
MAP4K4 O95819 1/20 0.33
PAK4 O96013 1/20 0.33
PIM1 P11309 1/20 0.33
PRKACA P17612 1/20 0.33
CDK2 P24941 1/20 0.33
FLT3 P36888 1/20 0.33
CDK8 P49336 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 0.89 ABL1 (0.36) IKBKBCHUKNPY5RBRD4GSK3B
SCHEMBL8576066 0.84 IKBKB (0.35) IKBKBCHUKNPY5RBRD4BRD2
SCHEMBL8547324 0.84 IKBKB (0.34) IKBKBCHUKNPY5RBRD4BRD2
SCHEMBL90912 0.84 ABL1 (0.38) IKBKBCHUKNPY5RGSK3BDYRK1A
SCHEMBL8572135 0.81 NPY5R (0.36) IKBKBCHUKNPY5RBRD4GSK3B
SCHEMBL8528320 0.79 NPY5R (0.45) NPY5RBRD4
SCHEMBL16300068 0.78 HTT (0.35) NPY5RBRD4ALDH1A1
SCHEMBL91022 0.77 SMO (0.37) IKBKBCHUKNPY5R
SCHEMBL90911 0.77 SMO (0.36) NPY5RALDH1A1LMNA
SCHEMBL8554483 0.77 PDK2 (0.37) NPY5R

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 IKBKB 2117/4885CHUK 754/4885NPY5R 1/4885
US-20110028468-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R IKBKB 2117/4885CHUK 754/4885NPY5R 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.