SCHEMBL90863

SCHEMBL90863

CC(C)(C)S(=O)(=O)N[C@H]1CC[C@H](c2nc(-c3ccc4c(c3)OCO4)c[nH]2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.39
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
LMNA P02545 3/20 0.39
MAPT P10636 2/20 0.39
NFKB1 P19838 2/20 0.39
NFKB2 Q00653 2/20 0.39
RELA Q04206 2/20 0.39
ADORA3 P0DMS8 8/20 0.39
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ADORA1 P30542 8/20 0.37
ADORA2A P29274 4/20 0.37
POLB P06746 2/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
HSD17B10 Q99714 1/20 0.37
KIT P10721 1/20 0.36
ADORA2B P29275 1/20 0.35
PDGFRB P09619 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
SCHEMBL90866 0.82 ABL1 (0.36) NPC1RAB9AMEN1KMT2A
SCHEMBL91018 0.82 NOTUM (0.41) SMN1; SMN2MAPTKMT2APOLBALDH1A1
SCHEMBL91029 0.82 GRIA2 (0.35) SMN1; SMN2NPC1RAB9ALMNAMAPT
SCHEMBL90997 0.82 NPY5R (0.35) LMNAADORA3ADORA1ADORA2AADORA2B
SCHEMBL90974 0.81 BRD4 (0.41) SMN1; SMN2LMNAMAPTMEN1KMT2A
SCHEMBL90867 0.81 RIPK2 (0.37) SMN1; SMN2NPC1RAB9ALMNAMAPT
SCHEMBL69642 0.80 NPY5R (0.39)
SCHEMBL90906 0.80 HSD11B1 (0.39) KITPDGFRB
SCHEMBL90947 0.79 SYK (0.42) SMN1; SMN2NPC1RAB9AMAPTKDM4E
SCHEMBL90946 0.78 KMT2A (0.41) SMN1; SMN2NPC1RAB9AMAPTMEN1

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 SMN1; SMN2 2506/4885NPC1 2622/4885RAB9A 3488/4885
US-20110028468-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R SMN1; SMN2 2506/4885NPC1 2622/4885RAB9A 3488/4885

“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.