SCHEMBL90970

SCHEMBL90970

COc1cc(F)cc(-c2n[nH]c([C@H]3CC[C@H](NS(=O)(=O)C(C)C)CC3)c2F)c1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRIA2 P42262 12/20 0.38
CYP2C19 P33261 1/20 0.35
MAP2K4 P45985 2/20 0.34
MAP2K7 O14733 1/20 0.34
GRIA4 P48058 1/20 0.34
KDM1A O60341 1/20 0.33
MAT2A P31153 2/20 0.33
CYP1A2 P05177 1/20 0.32
HCAR2 Q8TDS4 1/20 0.32
GRK6 P43250 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
SCHEMBL90963 0.84 ALDH1A1 (0.41) GRIA2CYP2C19MAP2K4MAP2K7CYP1A2
SCHEMBL90926 0.83 MAP2K4 (0.47) GRIA2CYP2C19MAP2K4MAP2K7GRIA4
SCHEMBL8595107 0.83 GRIA2 (0.47) GRIA2CYP2C19MAP2K4MAP2K7CYP1A2
SCHEMBL90972 0.82 KMT2A (0.41) GRIA2CYP2C19MAP2K4MAP2K7CYP1A2
SCHEMBL90956 0.81 KDM4E (0.45) GRIA2CYP2C19MAP2K4MAP2K7GRIA4
SCHEMBL90973 0.77 GRIA2 (0.46) GRIA2CYP2C19MAP2K4MAP2K7GRIA4
SCHEMBL90940 0.76 GRIA2 (0.45) GRIA2CYP2C19MAP2K4CYP1A2
SCHEMBL90953 0.75 GRIA2 (0.41) GRIA2CYP2C19MAP2K4GRIA4CYP1A2
SCHEMBL90968 0.74 MAP2K4 (0.40) MAP2K4
SCHEMBL8576809 0.74 GRIA2 (0.46) GRIA2CYP2C19MAP2K4MAP2K7GRIA4

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 1933/4885MAP2K4 419/4885
US-20110028468-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R GRIA2 634/4885CYP2C19 1933/4885MAP2K4 419/4885

“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.