SCHEMBL90947

SCHEMBL90947

CC(C)(C)S(=O)(=O)N[C@H]1CC[C@H](c2nc(-c3ccc(N4CCOCC4)cc3)c[nH]2)CC1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SYK P43405 13/20 0.42
JAK2 O60674 3/20 0.38
JAK3 P52333 1/20 0.38
BRD4 O60885 1/20 0.38
XDH P47989 1/20 0.38
PDGFRB P09619 1/20 0.36
KDM4E B2RXH2 2/20 0.36
NPC1 O15118 2/20 0.36
GAA P10253 2/20 0.36
MAPT P10636 2/20 0.36
RAB9A P51151 2/20 0.36
TP53 P04637 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 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 0.83 GRIA2 (0.35) JAK3PDGFRBNPC1MAPTRAB9A
SCHEMBL90997 0.83 NPY5R (0.35) JAK2JAK3BRD4GAA
SCHEMBL90867 0.82 RIPK2 (0.37) PDGFRBKDM4ENPC1MAPTRAB9A
SCHEMBL91018 0.80 NOTUM (0.41) SYKMAPTSMN1; SMN2L3MBTL1
SCHEMBL90866 0.80 ABL1 (0.36) JAK2JAK3BRD4NPC1RAB9A
SCHEMBL90863 0.79 SMN1; SMN2 (0.39) PDGFRBKDM4ENPC1MAPTRAB9A
SCHEMBL69642 0.79 NPY5R (0.39) SYK
SCHEMBL90974 0.78 BRD4 (0.41) BRD4KDM4EGAAMAPTTP53
SCHEMBL71885 0.78 PIK3CD (0.43) JAK3PDGFRBKDM4ETP53SMN1; SMN2
SCHEMBL90906 0.77 HSD11B1 (0.39) JAK3PDGFRB

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 SYK 943/4885JAK2 348/4885JAK3 1064/4885
US-20110028468-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R SYK 943/4885JAK2 348/4885JAK3 1064/4885

“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.