SCHEMBL90978

SCHEMBL90978

CC(C)S(=O)(=O)N[C@H]1CC[C@H](c2cc(-c3ccccc3)n[nH]2)CC1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 3/20 0.48
DRD2 P14416 2/20 0.48
DRD3 P35462 2/20 0.48
MAPK8 P45983 1/20 0.46
GRIA2 P42262 8/20 0.45
CYP1A2 P05177 1/20 0.45
CCNA2 P20248 3/20 0.44
CDK2 P24941 3/20 0.44
CCNA1 P78396 3/20 0.44
USP30 Q70CQ3 1/20 0.43
MKNK1 Q9BUB5 2/20 0.42
MKNK2 Q9HBH9 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ADORA3 P0DMS8 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA2B P29275 1/20 0.41
ADORA1 P30542 1/20 0.41

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
SCHEMBL90957 0.88 MKNK1 (0.57) DRD4GRIA2CYP1A2MKNK1MKNK2
SCHEMBL90865 0.88 GRIA2 (0.47) GRIA2CYP1A2CCNA2CDK2CCNA1
SCHEMBL91036 0.88 GRIA2 (0.47) DRD4DRD2DRD3GRIA2CYP1A2
SCHEMBL8576809 0.85 GRIA2 (0.46) DRD4GRIA2CYP1A2MKNK1MKNK2
SCHEMBL71054 0.84 DRD4 (0.52) DRD4DRD2DRD3MAPK8CCNA2
SCHEMBL90870 0.83 DRD4 (0.48) DRD4DRD2DRD3MAPK8CCNA2
SCHEMBL2374222 0.80 DRD4 (0.67) DRD4DRD2DRD3USP30MKNK1
SCHEMBL91000 0.79 GRIA2 (0.44) DRD4GRIA2CYP1A2USP30MKNK1
SCHEMBL90859 0.79 USP30 (0.45) GRIA2CYP1A2USP30
SCHEMBL8552199 0.78 GRIA2 (0.45) GRIA2USP30MKNK1MKNK2

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 DRD4 577/4885DRD2 351/4885DRD3 352/4885
US-20110028468-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R DRD4 577/4885DRD2 351/4885DRD3 352/4885

“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.