SCHEMBL90833

SCHEMBL90833

CC(C)(C)S(=O)(=O)N[C@H]1CC[C@H](c2cc(-c3cccc(Cl)c3)c[nH]2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 4/20 0.39
NR3C1 P04150 1/20 0.37
PGR P06401 1/20 0.37
NR3C2 P08235 1/20 0.37
AR P10275 1/20 0.37
KDM4E B2RXH2 1/20 0.37
CNR2 P34972 2/20 0.36
CNR1 P21554 1/20 0.36
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
STK4 Q13043 2/20 0.35
STK3 Q13188 2/20 0.35
LRRK2 Q5S007 2/20 0.35
SLC6A3 Q01959 1/20 0.34
NPY5R Q15761 1/20 0.34
HSD11B1 P28845 1/20 0.34
MAP4K4 O95819 1/20 0.33
BRD4 O60885 1/20 0.33
BRD2 P25440 1/20 0.33
BRD3 Q15059 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
SCHEMBL91037 0.85 DRD4 (0.44) PIM1
SCHEMBL90906 0.82 HSD11B1 (0.39) PIM1NR3C1PGRNR3C2AR
SCHEMBL90860 0.78 CCR6 (0.37) PIM1STK3NPY5RMAP4K4
SCHEMBL90838 0.77 ULK1 (0.40) PIM1CNR2CHRM1CHRM3HSD11B1
SCHEMBL16300069 0.73 YTHDF3 (0.35) NPY5RBRD4BRD2BRD3
SCHEMBL8554397 0.72 DAO (0.36) PGRCNR2CNR1NPY5R
SCHEMBL91004 0.72 DRD4 (0.57)
SCHEMBL90995 0.72 MEN1 (0.46)
SCHEMBL90870 0.71 DRD4 (0.48) PIM1LRRK2
SCHEMBL10133764 0.70 NPY5R (0.52) KDM4ENPY5R

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 PIM1 2604/4885NR3C1 219/4885PGR 333/4885
US-20110028468-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R PIM1 2604/4885NR3C1 219/4885PGR 333/4885

“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.