SCHEMBL90950

SCHEMBL90950

Cc1c(-c2ccccc2)n[nH]c1[C@H]1CC[C@H](NS(=O)(=O)C(C)(C)C)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.50
DRD4 P21917 4/20 0.50
DRD3 P35462 4/20 0.50
KDM4E B2RXH2 1/20 0.38
RAB9A P51151 1/20 0.38
GRM5 P41594 1/20 0.35
MAP2K4 P45985 2/20 0.35
NPY5R Q15761 1/20 0.35
MAPK8 P45983 1/20 0.34
MAP2K7 O14733 1/20 0.34
CCNE2 O96020 2/20 0.34
CCNE1 P24864 2/20 0.34
CDK2 P24941 2/20 0.34
CDK4 P11802 1/20 0.34
CCND1 P24385 1/20 0.34
SLC26A4 O43511 1/20 0.33
BRD4 O60885 2/20 0.32
CDK8 P49336 1/20 0.32
CDK5 Q00535 1/20 0.32
CLK4 Q9HAZ1 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
SCHEMBL16300074 0.88 DRD2 (0.39) DRD2DRD4DRD3KDM4EGRM5
SCHEMBL90979 0.88 USP30 (0.41) DRD2DRD4DRD3KDM4EGRM5
SCHEMBL8576816 0.85 GRM5 (0.46) DRD2DRD4DRD3KDM4EGRM5
SCHEMBL70995 0.80 KIT (0.43) NPY5R
SCHEMBL91039 0.77 MAP2K4 (0.43) MAP2K4NPY5RMAP2K7MAPK11MAPK14
SCHEMBL90870 0.77 DRD4 (0.48) DRD2DRD4DRD3MAPK8CDK2
SCHEMBL90932 0.76 MAP2K4 (0.46) MAP2K4NPY5RMAP2K7CDK2MAPK11
SCHEMBL90925 0.76 MAP2K4 (0.46) MAP2K4NPY5RMAP2K7CCNE2CCNE1
SCHEMBL90944 0.76 USP30 (0.44) NPY5RMAPK8
SCHEMBL91008 0.75 MAP2K4 (0.41) GRM5MAP2K4NPY5RMAP2K7MAPK11

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 DRD2 351/4885DRD4 577/4885DRD3 352/4885
US-20110028468-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R DRD2 351/4885DRD4 577/4885DRD3 352/4885

“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.