SCHEMBL90919

SCHEMBL90919

CC(C)(C)S(=O)(=O)N[C@H]1CC[C@H](c2cc3nc(N4CCOCC4)ccc3[nH]2)CC1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.34
SYK P43405 2/20 0.34
GBA1 P04062 2/20 0.34
PIK3CD O00329 1/20 0.34
PIK3CB P42338 1/20 0.34
ATM Q13315 1/20 0.34
ATR Q13535 2/20 0.33
PIK3CA P42336 2/20 0.33
CHEK1 O14757 1/20 0.33
PDCD1 Q15116 1/20 0.33
ATRIP Q8WXE1 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
LRRK2 Q5S007 2/20 0.33
IGF1R P08069 1/20 0.33
MTOR P42345 1/20 0.33
FGFR1 P11362 1/20 0.33
FLT1 P17948 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 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
SCHEMBL69615 0.91 NPY5R (0.36) BRD4
SCHEMBL90966 0.90 NPY5R (0.38) BRD4SYK
SCHEMBL90964 0.86 KDM4E (0.35) BRD4ATMPIK3CAKDM4EALDH1A1
SCHEMBL90852 0.81 BRD4 (0.35) BRD4
SCHEMBL90914 0.81 NPY5R (0.34) BRD4ALDH1A1SMN1; SMN2
SCHEMBL90920 0.81 NPY5R (0.36) BRD4
SCHEMBL90853 0.79 NPY5R (0.39) BRD4
SCHEMBL90849 0.78 BRD4 (0.37) BRD4ALDH1A1HPGDSMN1; SMN2
SCHEMBL90856 0.77 NPY5R (0.32) BRD4
SCHEMBL8594764 0.77 MKNK2 (0.34) BRD4

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 BRD4 482/4885SYK 943/4885GBA1 2840/4885
US-20110028468-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R BRD4 482/4885SYK 943/4885GBA1 2840/4885

“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.