SCHEMBL90906

SCHEMBL90906

CC(C)(C)S(=O)(=O)N[C@H]1CC[C@H](c2nc(-c3cccc(Cl)c3)c[nH]2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.39
PIM1 P11309 1/20 0.37
CNR2 P34972 7/20 0.37
PDGFRB P09619 1/20 0.36
KIT P10721 1/20 0.36
KDR P35968 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
NR3C1 P04150 1/20 0.35
PGR P06401 1/20 0.35
NR3C2 P08235 1/20 0.35
AR P10275 1/20 0.35
STK3 Q13188 3/20 0.35
STK4 Q13043 2/20 0.35
LRRK2 Q5S007 2/20 0.35
PFKFB3 Q16875 1/20 0.35
TRPA1 O75762 1/20 0.35
CDC7 O00311 1/20 0.35
DAPK3 O43293 1/20 0.35
ROCK2 O75116 1/20 0.35

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
SCHEMBL91029 0.88 GRIA2 (0.35) HSD11B1CNR2PDGFRBSTK3CDC7
SCHEMBL90997 0.88 NPY5R (0.35) HSD11B1STK3CDC7DAPK3ROCK2
SCHEMBL90866 0.86 ABL1 (0.36) STK3CDC7DAPK3ROCK2MAP4K4
SCHEMBL91031 0.86 KDM1A (0.49) PIM1CSNK1A1
SCHEMBL90975 0.86 PLK1 (0.40) PDGFRBKITKDRGSK3BCDK9
SCHEMBL90986 0.85 LRRK2 (0.38) LRRK2
SCHEMBL71885 0.84 PIK3CD (0.43) PDGFRBSTK3CDC7DAPK3ROCK2
SCHEMBL8527347 0.83 WDR5 (0.37) PIM1ROCK2MAP4K4GSK3B
SCHEMBL90992 0.83 TYRO3 (0.40) PIM1KITROCK2FLT3
SCHEMBL90838 0.82 ULK1 (0.40) HSD11B1PIM1CNR2CHRM1CHRM3

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 HSD11B1 1697/4885PIM1 2604/4885CNR2 47/4885
US-20110028468-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R HSD11B1 1697/4885PIM1 2604/4885CNR2 47/4885

“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.