SCHEMBL90979

SCHEMBL90979

CC(C)(C)S(=O)(=O)N[C@H]1CC[C@H](c2[nH]nc(-c3ccccc3)c2F)CC1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.41
MAP2K4 P45985 4/20 0.39
MAP2K7 O14733 1/20 0.38
KDM4E B2RXH2 1/20 0.37
DRD2 P14416 2/20 0.37
DRD4 P21917 2/20 0.37
DRD3 P35462 2/20 0.37
HCAR2 Q8TDS4 2/20 0.36
NPY5R Q15761 1/20 0.36
GRM5 P41594 1/20 0.34
MAPK8 P45983 1/20 0.34
MAPK11 Q15759 5/20 0.34
MAPK14 Q16539 5/20 0.34
CCNE2 O96020 2/20 0.33
CCNE1 P24864 2/20 0.33
CDK2 P24941 2/20 0.33
KCNH2 Q12809 1/20 0.33
CDK4 P11802 1/20 0.33
CCND1 P24385 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
SCHEMBL90950 0.88 DRD2 (0.50) MAP2K4MAP2K7KDM4EDRD2DRD4
SCHEMBL16300074 0.87 DRD2 (0.39) MAP2K4MAP2K7KDM4EDRD2DRD4
SCHEMBL90968 0.86 MAP2K4 (0.40) USP30MAP2K4CDK2
SCHEMBL91035 0.85 USP30 (0.43) USP30MAP2K4CDK2
SCHEMBL90956 0.84 KDM4E (0.45) USP30MAP2K4MAP2K7KDM4EDRD2
SCHEMBL8576816 0.84 GRM5 (0.46) MAP2K4KDM4EDRD2DRD4DRD3
SCHEMBL91039 0.81 MAP2K4 (0.43) MAP2K4MAP2K7NPY5RMAPK11MAPK14
SCHEMBL90925 0.79 MAP2K4 (0.46) MAP2K4MAP2K7NPY5RMAPK11MAPK14
SCHEMBL90932 0.79 MAP2K4 (0.46) MAP2K4MAP2K7NPY5RMAPK11MAPK14
SCHEMBL70995 0.79 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 4154/4885MAP2K4 419/4885MAP2K7 391/4885
US-20110028468-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R USP30 4154/4885MAP2K4 419/4885MAP2K7 391/4885

“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.