SCHEMBL90859

SCHEMBL90859

CC(C)S(=O)(=O)N[C@H]1CC[C@H](c2nc(-c3ccccc3)n[nH]2)CC1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 3/20 0.45
ULK1 O75385 1/20 0.45
HSD11B1 P28845 1/20 0.40
GRIA2 P42262 7/20 0.40
CYP1A2 P05177 1/20 0.40
P2RY12 Q9H244 1/20 0.39
GRIA4 P48058 2/20 0.39
MGLL Q99685 1/20 0.39
PYGL P06737 1/20 0.38

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
SCHEMBL91038 0.88 GRIA2 (0.47) GRIA2CYP1A2
SCHEMBL90969 0.88 GRIA2 (0.47) GRIA2CYP1A2GRIA4
SCHEMBL91042 0.87 ULK1 (0.43) ULK1HSD11B1GRIA2CYP1A2
SCHEMBL90944 0.85 USP30 (0.44) USP30ULK1HSD11B1P2RY12MGLL
SCHEMBL25148551 0.80 USP30 (0.61) USP30ULK1HSD11B1CYP1A2MGLL
SCHEMBL90978 0.79 DRD4 (0.48) USP30GRIA2CYP1A2
SCHEMBL90956 0.76 KDM4E (0.45) USP30GRIA2CYP1A2GRIA4
SCHEMBL8594191 0.76 KDM4E (0.45) GRIA2CYP1A2GRIA4
SCHEMBL8528846 0.74 RAB9A (0.40) USP30HSD11B1GRIA2MGLL
SCHEMBL91043 0.73 GRM5 (0.46) 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 USP30 4154/4885ULK1 4354/4885HSD11B1 1697/4885
US-20110028468-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R USP30 4154/4885ULK1 4354/4885HSD11B1 1697/4885

“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.