SCHEMBL8528320

SCHEMBL8528320

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

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 1/20 0.45
HRH4 Q9H3N8 1/20 0.37
PYGL P06737 1/20 0.36
PYGM P11217 1/20 0.36
PDE2A O00408 4/20 0.34
EPHX2 P34913 1/20 0.34
IDH2 P48735 1/20 0.34
CCR2 P41597 1/20 0.34
KCNH2 Q12809 1/20 0.34
VCP P55072 1/20 0.33
BRD4 O60885 1/20 0.33
DRD2 P14416 1/20 0.33
ADRA1D P25100 1/20 0.33
ADRA1A P35348 1/20 0.33
ADRA1B P35368 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
DGAT1 O75907 1/20 0.32
AR P10275 1/20 0.32

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
SCHEMBL16300068 0.83 HTT (0.35) NPY5RBRD4
SCHEMBL90861 0.81 NPY5R (0.49) NPY5RPDE2AEPHX2
SCHEMBL8547406 0.81 PDE2A (0.38) NPY5RPDE2ADRD2ADRA1DADRA1A
SCHEMBL90853 0.81 NPY5R (0.39) NPY5RIDH2BRD4KMT2A
SCHEMBL2884294 0.81 NPY5R (0.46) NPY5RPDE2AIDH2KCNH2ADRA1A
SCHEMBL2884297 0.81 NPY5R (0.46) NPY5RPDE2AIDH2KCNH2ADRA1A
SCHEMBL90916 0.79 IKBKB (0.36) NPY5RBRD4
SCHEMBL2884299 0.78 NPY5R (0.48) NPY5RHRH4PDE2AIDH2KCNH2
SCHEMBL90920 0.78 NPY5R (0.36) NPY5RBRD4KMT2A
SCHEMBL90897 0.77 ABL1 (0.36) NPY5RBRD4

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 2 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 1/4885HRH4 189/4885PYGL 2804/4885

“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.