SCHEMBL90897

SCHEMBL90897

CC(C)(C)S(=O)(=O)N[C@H]1CC[C@H](c2cc3cc(-c4ccccn4)ccc3[nH]2)CC1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.36
SCD O00767 1/20 0.36
TGFBR1 P36897 1/20 0.36
SMO Q99835 6/20 0.36
PDK2 Q15119 1/20 0.35
PDK4 Q16654 1/20 0.35
GSK3B P49841 1/20 0.35
DYRK1A Q13627 1/20 0.35
NPY5R Q15761 1/20 0.35
IKBKB O14920 2/20 0.34
CHUK O15111 2/20 0.34
CCR6 P51684 1/20 0.34
BRD4 O60885 1/20 0.33
HTR2B P41595 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
SCHEMBL8572135 0.92 NPY5R (0.36) ABL1SCDTGFBR1SMOPDK2
SCHEMBL90916 0.89 IKBKB (0.36) TGFBR1GSK3BDYRK1ANPY5RIKBKB
SCHEMBL90912 0.88 ABL1 (0.38) ABL1GSK3BDYRK1ANPY5RIKBKB
SCHEMBL91022 0.86 SMO (0.37) ABL1SMOPDK2PDK4NPY5R
SCHEMBL8553204 0.86 GRIA2 (0.45) ABL1SCDTGFBR1
SCHEMBL90911 0.85 SMO (0.36) SCDSMOPDK2PDK4NPY5R
SCHEMBL8554483 0.84 PDK2 (0.37) SMOPDK2PDK4NPY5R
SCHEMBL90860 0.83 CCR6 (0.37) ABL1TGFBR1SMOPDK2PDK4
SCHEMBL8547324 0.82 IKBKB (0.34) NPY5RIKBKBCHUKBRD4
SCHEMBL8576066 0.82 IKBKB (0.35) NPY5RIKBKBCHUKBRD4

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 ABL1 619/4885SCD 3403/4885TGFBR1 966/4885
US-20110028468-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R ABL1 619/4885SCD 3403/4885TGFBR1 966/4885

“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.