SCHEMBL90929

SCHEMBL90929

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

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.53
GRM5 P41594 5/20 0.41
MAPK11 Q15759 1/20 0.41
MAPK14 Q16539 1/20 0.41
GRIA2 P42262 7/20 0.39
FYN P06241 1/20 0.39
ADORA1 P30542 3/20 0.38
ADORA2A P29274 2/20 0.37
CYP1A2 P05177 1/20 0.37
ADORA2B P29275 1/20 0.37
CNR2 P34972 1/20 0.36
MAP2K4 P45985 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
SCHEMBL90984 0.89 MAP2K4 (0.43) ATMGRM5GRIA2ADORA1CYP1A2
SCHEMBL91043 0.88 GRM5 (0.46) ATMGRM5GRIA2ADORA1ADORA2A
SCHEMBL91040 0.88 MAPK11 (0.44) ATMMAPK11MAPK14GRIA2FYN
SCHEMBL90940 0.80 GRIA2 (0.45) GRIA2CYP1A2MAP2K4
SCHEMBL91027 0.78 MAP2K4 (0.46) GRIA2CYP1A2MAP2K4
SCHEMBL91036 0.77 GRIA2 (0.47) GRIA2CYP1A2
SCHEMBL8594191 0.77 KDM4E (0.45) GRIA2CYP1A2
SCHEMBL91007 0.77 MAP2K4 (0.44) ATMGRM5ADORA1ADORA2AADORA2B
SCHEMBL91042 0.77 ULK1 (0.43) GRIA2CYP1A2
SCHEMBL90927 0.76 MAP2K4 (0.43) ATMGRM5ADORA1ADORA2AADORA2B

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 ATM 4807/4885GRM5 97/4885MAPK11 1088/4885
US-20110028468-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R ATM 4807/4885GRM5 97/4885MAPK11 1088/4885

“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.