SCHEMBL90940

SCHEMBL90940

CC(C)S(=O)(=O)N[C@H]1CC[C@H](c2[nH]nc(-c3cccc(C#N)c3)c2F)CC1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRIA2 P42262 14/20 0.45
USP30 Q70CQ3 2/20 0.43
MAP2K4 P45985 2/20 0.39
CYP2C19 P33261 1/20 0.38
CYP1A2 P05177 1/20 0.37
MAPK1 P28482 1/20 0.36
GRIA1 P42261 1/20 0.36
GRIA3 P42263 1/20 0.36

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
SCHEMBL90973 0.89 GRIA2 (0.46) GRIA2USP30MAP2K4CYP2C19GRIA1
SCHEMBL90926 0.88 MAP2K4 (0.47) GRIA2USP30MAP2K4CYP2C19CYP1A2
SCHEMBL91035 0.87 USP30 (0.43) USP30MAP2K4MAPK1
SCHEMBL90956 0.85 KDM4E (0.45) GRIA2USP30MAP2K4CYP2C19CYP1A2
SCHEMBL90984 0.83 MAP2K4 (0.43) GRIA2MAP2K4CYP2C19CYP1A2
SCHEMBL8594865 0.81 GRIA2 (0.39) GRIA2USP30CYP2C19CYP1A2
SCHEMBL8595107 0.81 GRIA2 (0.47) GRIA2MAP2K4CYP2C19CYP1A2
SCHEMBL90929 0.80 ATM (0.53) GRIA2MAP2K4CYP1A2
SCHEMBL91043 0.79 GRM5 (0.46) GRIA2CYP1A2
SCHEMBL90972 0.79 KMT2A (0.41) GRIA2MAP2K4CYP2C19CYP1A2

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 634/4885USP30 4154/4885MAP2K4 419/4885
US-20110028468-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R GRIA2 634/4885USP30 4154/4885MAP2K4 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.