SCHEMBL91041

SCHEMBL91041

CC(C)(C)S(=O)(=O)N[C@H]1CC[C@H](c2nc(-c3cc(Cl)cc(Cl)c3)n[nH]2)CC1

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.33
MAPK14 Q16539 1/20 0.33
BRD4 O60885 3/20 0.33
ULK1 O75385 1/20 0.33
XPO1 O14980 1/20 0.33
NPY5R Q15761 1/20 0.32
KIT P10721 1/20 0.32
SCN5A Q14524 1/20 0.31
HSD11B1 P28845 1/20 0.31
AOC3 Q16853 2/20 0.31
JAK2 O60674 2/20 0.31
JAK1 P23458 2/20 0.31
JAK3 P52333 2/20 0.31
BRD3 Q15059 1/20 0.30
CNR1 P21554 1/20 0.30
CNR2 P34972 1/20 0.30

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
SCHEMBL90838 0.89 ULK1 (0.40) MAPK14ULK1HSD11B1CNR2
SCHEMBL8528846 0.89 RAB9A (0.40) MAPK14NPY5RKITHSD11B1AOC3
SCHEMBL90944 0.84 USP30 (0.44) ULK1NPY5RHSD11B1AOC3
SCHEMBL8546830 0.84 CPT1A (0.39) MAPK14ULK1NPY5RKITAOC3
SCHEMBL91042 0.75 ULK1 (0.43) ULK1HSD11B1
SCHEMBL90969 0.74 GRIA2 (0.47) MAPK14AOC3
SCHEMBL90906 0.73 HSD11B1 (0.39) KITHSD11B1JAK3CNR1CNR2
SCHEMBL91004 0.72 DRD4 (0.57)
SCHEMBL91037 0.72 DRD4 (0.44)
SCHEMBL91029 0.71 GRIA2 (0.35) NPY5RHSD11B1JAK3CNR1CNR2

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 SCN9A 694/4885MAPK14 1901/4885BRD4 482/4885
US-20110028468-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R SCN9A 694/4885MAPK14 1901/4885BRD4 482/4885

“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.