SCHEMBL16300069

SCHEMBL16300069

CC(C)(C)S(=O)(=O)N[C@H]1CC[C@H](c2cc(-c3ccccc3)cc(=O)[nH]2)CC1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
YTHDF3 Q7Z739 1/20 0.35
YTHDF1 Q9BYJ9 1/20 0.35
YTHDF2 Q9Y5A9 1/20 0.35
PARG Q86W56 2/20 0.34
PDE2A O00408 6/20 0.34
BRD4 O60885 4/20 0.34
JAK2 O60674 3/20 0.34
JAK1 P23458 2/20 0.34
JAK3 P52333 2/20 0.34
CDC7 O00311 1/20 0.33
DBF4 Q9UBU7 1/20 0.33
NPY5R Q15761 1/20 0.33
IDH2 P48735 1/20 0.32
BRD2 P25440 1/20 0.32
BRD3 Q15059 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
TNKS O95271 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
SCHEMBL16300070 0.81 NPY5R (0.35) PARGBRD4NPY5RIDH2
SCHEMBL8987140 0.81 YTHDF2 (0.52) YTHDF3YTHDF1YTHDF2PDE2ACDC7
SCHEMBL9522290 0.81 YTHDF2 (0.52) YTHDF3YTHDF1YTHDF2PDE2ACDC7
SCHEMBL8552097 0.78 GAA (0.36) NPY5RIDH2
SCHEMBL90870 0.78 DRD4 (0.48)
SCHEMBL90833 0.73 PIM1 (0.39) BRD4NPY5RBRD2BRD3
SCHEMBL2884125 0.73 HTR2B (0.47) PDE2ABRD4NPY5R
SCHEMBL2884131 0.73 NPY5R (0.49) NPY5R
SCHEMBL2884128 0.73 HTR2B (0.47) PDE2ABRD4NPY5R
SCHEMBL8554397 0.71 DAO (0.36) PARGNPY5R

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 YTHDF3 1549/4885YTHDF1 1513/4885YTHDF2 1489/4885
US-20110028468-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R YTHDF3 1549/4885YTHDF1 1513/4885YTHDF2 1489/4885

“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.