SCHEMBL90953

SCHEMBL90953

CC(C)S(=O)(=O)N[C@H]1CC[C@H](c2[nH]nc(-c3ccccc3F)c2F)CC1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRIA2 P42262 10/20 0.41
CYP2C19 P33261 1/20 0.41
CCNE2 O96020 2/20 0.36
CCNE1 P24864 2/20 0.36
CDK2 P24941 2/20 0.36
CDK4 P11802 1/20 0.36
CCND1 P24385 1/20 0.36
GRIA4 P48058 3/20 0.35
HCAR2 Q8TDS4 1/20 0.35
CYP1A2 P05177 1/20 0.35
HTT P42858 1/20 0.35
KDM4E B2RXH2 1/20 0.34
MAP2K4 P45985 1/20 0.33
HTR7 P34969 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
SCHEMBL8594865 0.87 GRIA2 (0.39) GRIA2CYP2C19CCNE2CCNE1CDK2
SCHEMBL90956 0.87 KDM4E (0.45) GRIA2CYP2C19GRIA4HCAR2CYP1A2
SCHEMBL8595107 0.83 GRIA2 (0.47) GRIA2CYP2C19CYP1A2MAP2K4
SCHEMBL90926 0.81 MAP2K4 (0.47) GRIA2CYP2C19GRIA4CYP1A2MAP2K4
SCHEMBL90973 0.78 GRIA2 (0.46) GRIA2CYP2C19GRIA4MAP2K4
SCHEMBL90972 0.78 KMT2A (0.41) GRIA2CYP2C19CDK2CYP1A2MAP2K4
SCHEMBL90963 0.78 ALDH1A1 (0.41) GRIA2CYP2C19CYP1A2HTTMAP2K4
SCHEMBL90940 0.77 GRIA2 (0.45) GRIA2CYP2C19CYP1A2MAP2K4
SCHEMBL8594191 0.76 KDM4E (0.45) GRIA2CYP2C19GRIA4CYP1A2KDM4E
SCHEMBL90970 0.75 GRIA2 (0.38) GRIA2CYP2C19GRIA4HCAR2CYP1A2

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 GRIA2 634/4885CYP2C19 1933/4885CCNE2 3559/4885
US-20110028468-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R GRIA2 634/4885CYP2C19 1933/4885CCNE2 3559/4885

“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.