SCHEMBL8594191

SCHEMBL8594191

CC(C)S(=O)(=O)N[C@H]1CC[C@H](c2[nH]nc(-c3ccccc3)c2Cl)CC1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.45
GRIA2 P42262 15/20 0.40
CYP1A2 P05177 1/20 0.40
DRD2 P14416 2/20 0.39
DRD4 P21917 2/20 0.39
DRD3 P35462 2/20 0.39
GRIA4 P48058 2/20 0.37
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
SCHEMBL91040 0.89 MAPK11 (0.44) GRIA2CYP1A2CYP2C19
SCHEMBL91027 0.88 MAP2K4 (0.46) GRIA2CYP1A2GRIA4CYP2C19
SCHEMBL90956 0.87 KDM4E (0.45) KDM4EGRIA2CYP1A2DRD2DRD4
SCHEMBL16300074 0.84 DRD2 (0.39) KDM4EDRD2DRD4DRD3
SCHEMBL91043 0.84 GRM5 (0.46) KDM4EGRIA2CYP1A2DRD2DRD4
SCHEMBL8595107 0.78 GRIA2 (0.47) GRIA2CYP1A2CYP2C19
SCHEMBL90929 0.77 ATM (0.53) GRIA2CYP1A2
SCHEMBL90926 0.77 MAP2K4 (0.47) GRIA2CYP1A2GRIA4CYP2C19
SCHEMBL90953 0.76 GRIA2 (0.41) KDM4EGRIA2CYP1A2GRIA4CYP2C19
SCHEMBL90859 0.76 USP30 (0.45) GRIA2CYP1A2GRIA4

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 KDM4E 1623/4885GRIA2 634/4885CYP1A2 2253/4885
US-20110028468-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R KDM4E 1623/4885GRIA2 634/4885CYP1A2 2253/4885

“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.