SCHEMBL8528846

SCHEMBL8528846

CC(C)(C)S(=O)(=O)N[C@H]1CC[C@H](c2nc(-c3ccc(Cl)cc3)n[nH]2)CC1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
AOC3 Q16853 5/20 0.37
PDK2 Q15119 2/20 0.36
KIT P10721 1/20 0.35
MAPK14 Q16539 1/20 0.35
NR1H2 P55055 1/20 0.35
NR1H3 Q13133 1/20 0.35
MGLL Q99685 1/20 0.35
HSD11B1 P28845 1/20 0.35
USP30 Q70CQ3 2/20 0.34
NPY5R Q15761 1/20 0.34
SGK1 O00141 1/20 0.34
GRIA2 P42262 1/20 0.33

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
SCHEMBL91041 0.89 SCN9A (0.33) AOC3KITMAPK14HSD11B1NPY5R
SCHEMBL90944 0.89 USP30 (0.44) AOC3PDK2NR1H2NR1H3MGLL
SCHEMBL90838 0.87 ULK1 (0.40) RAB9AMAPK14HSD11B1
SCHEMBL8546830 0.86 CPT1A (0.39) AOC3KITMAPK14NPY5RSGK1
SCHEMBL90969 0.85 GRIA2 (0.47) CA12CA1CA2CA9AOC3
SCHEMBL91029 0.80 GRIA2 (0.35) RAB9ANPC1RXFP1HSD11B1NPY5R
SCHEMBL91004 0.79 DRD4 (0.57)
SCHEMBL91038 0.74 GRIA2 (0.47) AOC3KITGRIA2
SCHEMBL90859 0.74 USP30 (0.45) MGLLHSD11B1USP30GRIA2
SCHEMBL91042 0.73 ULK1 (0.43) HSD11B1GRIA2

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 RAB9A 3488/4885NPC1 2622/4885RXFP1 24/4885
US-20110028468-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R RAB9A 3488/4885NPC1 2622/4885RXFP1 24/4885

“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.