SCHEMBL90944

SCHEMBL90944

CC(C)(C)S(=O)(=O)N[C@H]1CC[C@H](c2nc(-c3ccccc3)n[nH]2)CC1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 4/20 0.44
ULK1 O75385 1/20 0.42
MGLL Q99685 1/20 0.40
HSD11B1 P28845 1/20 0.40
P2RY12 Q9H244 1/20 0.39
PYGL P06737 3/20 0.37
PDK2 Q15119 2/20 0.37
AOC3 Q16853 2/20 0.36
NR1H2 P55055 1/20 0.35
NR1H3 Q13133 1/20 0.35
NPY5R Q15761 1/20 0.35
MAPK8 P45983 1/20 0.35

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
SCHEMBL8528846 0.89 RAB9A (0.40) USP30MGLLHSD11B1PDK2AOC3
SCHEMBL90838 0.87 ULK1 (0.40) ULK1HSD11B1
SCHEMBL90859 0.85 USP30 (0.45) USP30ULK1MGLLHSD11B1P2RY12
SCHEMBL91041 0.84 SCN9A (0.33) ULK1HSD11B1AOC3NPY5R
SCHEMBL8546830 0.84 CPT1A (0.39) ULK1AOC3NPY5R
SCHEMBL25148551 0.79 USP30 (0.61) USP30ULK1MGLLHSD11B1PYGL
SCHEMBL90997 0.79 NPY5R (0.35) HSD11B1NPY5RMAPK8
SCHEMBL2884475 0.78 HTR2B (0.40) NPY5R
SCHEMBL2879069 0.78 HTR2B (0.40) NPY5R
SCHEMBL70995 0.78 KIT (0.43) 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 USP30 4154/4885ULK1 4354/4885MGLL 1415/4885
US-20110028468-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R USP30 4154/4885ULK1 4354/4885MGLL 1415/4885

“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.