SCHEMBL90984

SCHEMBL90984

CC(C)S(=O)(=O)N[C@H]1CC[C@H](c2[nH]nc(-c3cccc(F)c3)c2C#N)CC1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAP2K4 P45985 3/20 0.43
GRIA2 P42262 11/20 0.39
ATM Q13315 1/20 0.39
GRIA4 P48058 1/20 0.39
ADORA2B P29275 1/20 0.38
ADORA1 P30542 1/20 0.38
CYP2C19 P33261 1/20 0.38
CYP1A2 P05177 1/20 0.37
MAP2K7 O14733 1/20 0.37
GRM5 P41594 2/20 0.37

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
SCHEMBL90929 0.89 ATM (0.53) MAP2K4GRIA2ATMADORA2BADORA1
SCHEMBL91043 0.88 GRM5 (0.46) GRIA2ATMGRIA4ADORA1CYP1A2
SCHEMBL91007 0.88 MAP2K4 (0.44) MAP2K4ATMADORA2BADORA1MAP2K7
SCHEMBL90926 0.88 MAP2K4 (0.47) MAP2K4GRIA2GRIA4CYP2C19CYP1A2
SCHEMBL90927 0.87 MAP2K4 (0.43) MAP2K4ATMADORA2BADORA1MAP2K7
SCHEMBL91027 0.86 MAP2K4 (0.46) MAP2K4GRIA2GRIA4CYP2C19CYP1A2
SCHEMBL90940 0.83 GRIA2 (0.45) MAP2K4GRIA2CYP2C19CYP1A2
SCHEMBL90865 0.77 GRIA2 (0.47) MAP2K4GRIA2GRIA4CYP2C19CYP1A2
SCHEMBL90956 0.77 KDM4E (0.45) MAP2K4GRIA2GRIA4CYP2C19CYP1A2
SCHEMBL90973 0.77 GRIA2 (0.46) MAP2K4GRIA2GRIA4CYP2C19MAP2K7

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 MAP2K4 419/4885GRIA2 634/4885ATM 4807/4885
US-20110028468-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R MAP2K4 419/4885GRIA2 634/4885ATM 4807/4885

“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.