SCHEMBL90845

SCHEMBL90845

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

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 2/20 0.42
NPY5R Q15761 1/20 0.38
CCNA2 P20248 14/20 0.38
CDK2 P24941 14/20 0.38
CCNA1 P78396 14/20 0.38
WDR5 P61964 1/20 0.35
KDM5A P29375 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
SCHEMBL90870 0.83 DRD4 (0.48) CCNA2CDK2CCNA1
SCHEMBL90983 0.79 DRD2 (0.50)
SCHEMBL90871 0.79 KMT2A (0.44) HCAR2CCNA2CDK2CCNA1
SCHEMBL91033 0.79 MKNK1 (0.42) NPY5RCCNA2CDK2CCNA1
SCHEMBL91004 0.78 DRD4 (0.57) CCNA2CDK2CCNA1
SCHEMBL91023 0.78 MKNK1 (0.57)
SCHEMBL91037 0.78 DRD4 (0.44) CCNA2CDK2CCNA1
SCHEMBL90995 0.78 MEN1 (0.46) CCNA2CDK2CCNA1
SCHEMBL8553055 0.77 NPY5R (0.39) HCAR2NPY5RCCNA2CDK2CCNA1
SCHEMBL90977 0.77 MEN1 (0.45)

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 HCAR2 135/4885NPY5R 1/4885CCNA2 2962/4885
US-20110028468-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R HCAR2 135/4885NPY5R 1/4885CCNA2 2962/4885

“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.