SCHEMBL69642

SCHEMBL69642

CC(C)(C)S(=O)(=O)N[C@H]1CC[C@H](c2nc(-c3ccc(F)nc3)c[nH]2)CC1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 1/20 0.39
GRIA2 P42262 7/20 0.39
TDO2 P48775 1/20 0.36
SYK P43405 1/20 0.35
KCNH2 Q12809 3/20 0.35
LIPG Q9Y5X9 5/20 0.35
ALOX5AP P20292 3/20 0.34
FEN1 P39748 3/20 0.34
MCHR1 Q99705 1/20 0.33
LIPC P11150 1/20 0.33
KDM1A O60341 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 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
SCHEMBL91029 0.84 GRIA2 (0.35) NPY5RGRIA2KDM1A
SCHEMBL90997 0.84 NPY5R (0.35) NPY5RKDM1AMAOAMAOB
SCHEMBL71885 0.82 PIK3CD (0.43) NPY5RGRIA2KCNH2KDM1AMAOA
SCHEMBL90867 0.82 RIPK2 (0.37) NPY5R
SCHEMBL90866 0.82 ABL1 (0.36) NPY5RGRIA2
SCHEMBL90946 0.82 KMT2A (0.41)
SCHEMBL90974 0.80 BRD4 (0.41)
SCHEMBL91031 0.80 KDM1A (0.49) NPY5RGRIA2KCNH2KDM1AMAOA
SCHEMBL90863 0.80 SMN1; SMN2 (0.39)
SCHEMBL90906 0.79 HSD11B1 (0.39)

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 6 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-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
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 NPY5R 1/4885GRIA2 634/4885TDO2 1941/4885
US-20110028468-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R NPY5R 1/4885GRIA2 634/4885TDO2 1941/4885

“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.