SCHEMBL8553055

SCHEMBL8553055

CC(C)(C)S(=O)(=O)N[C@H]1CC[C@H](c2cc(OS(=O)(=O)C(F)(F)F)n[nH]2)CC1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 1/20 0.39
DRD2 P14416 1/20 0.35
HTR1D P28221 1/20 0.35
DRD3 P35462 1/20 0.35
HCAR2 Q8TDS4 2/20 0.34
CCNA2 P20248 12/20 0.33
CDK2 P24941 12/20 0.33
CCNA1 P78396 12/20 0.33
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31
JAK3 P52333 1/20 0.31
PGR P06401 1/20 0.30

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
SCHEMBL90845 0.77 HCAR2 (0.42) NPY5RHCAR2CCNA2CDK2CCNA1
SCHEMBL90870 0.76 DRD4 (0.48) DRD2DRD3CCNA2CDK2CCNA1
SCHEMBL91023 0.74 MKNK1 (0.57) DRD2DRD3
SCHEMBL91033 0.72 MKNK1 (0.42) NPY5RCCNA2CDK2CCNA1
SCHEMBL91005 0.72 MEN1 (0.61) CCNA2CDK2CCNA1
SCHEMBL91004 0.72 DRD4 (0.57) DRD2DRD3CCNA2CDK2CCNA1
SCHEMBL90995 0.72 MEN1 (0.46) DRD2DRD3CCNA2CDK2CCNA1
SCHEMBL90977 0.71 MEN1 (0.45)
SCHEMBL90871 0.70 KMT2A (0.44) DRD2DRD3HCAR2CCNA2CDK2
SCHEMBL90983 0.70 DRD2 (0.50) DRD2DRD3

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 NPY5R 1/4885DRD2 351/4885HTR1D 287/4885
US-20110028468-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R NPY5R 1/4885DRD2 351/4885HTR1D 287/4885

“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.