SCHEMBL91040

SCHEMBL91040

CC(C)S(=O)(=O)N[C@H]1CC[C@H](c2[nH]nc(-c3cccc(Cl)c3)c2Cl)CC1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK11 Q15759 1/20 0.44
MAPK14 Q16539 1/20 0.44
FYN P06241 1/20 0.42
GRIA2 P42262 13/20 0.41
CYP1A2 P05177 1/20 0.40
ATM Q13315 1/20 0.40
MAP2K4 P45985 1/20 0.38
HTR6 P50406 1/20 0.37
PIM1 P11309 1/20 0.36
TRPA1 O75762 1/20 0.36
CYP2C19 P33261 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
SCHEMBL91027 0.90 MAP2K4 (0.46) GRIA2CYP1A2MAP2K4CYP2C19
SCHEMBL8594191 0.89 KDM4E (0.45) GRIA2CYP1A2CYP2C19
SCHEMBL90929 0.88 ATM (0.53) MAPK11MAPK14FYNGRIA2CYP1A2
SCHEMBL91036 0.81 GRIA2 (0.47) GRIA2CYP1A2
SCHEMBL91042 0.80 ULK1 (0.43) GRIA2CYP1A2PIM1
SCHEMBL90926 0.80 MAP2K4 (0.47) GRIA2CYP1A2MAP2K4CYP2C19
SCHEMBL90956 0.77 KDM4E (0.45) GRIA2CYP1A2MAP2K4CYP2C19
SCHEMBL90932 0.76 MAP2K4 (0.46) MAPK11MAPK14MAP2K4HTR6
SCHEMBL90984 0.76 MAP2K4 (0.43) GRIA2CYP1A2ATMMAP2K4CYP2C19
SCHEMBL90940 0.76 GRIA2 (0.45) GRIA2CYP1A2MAP2K4CYP2C19

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 MAPK11 1088/4885MAPK14 1901/4885FYN 380/4885
US-20110028468-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R MAPK11 1088/4885MAPK14 1901/4885FYN 380/4885

“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.