SCHEMBL91018

SCHEMBL91018

CN1CCOc2cc(-c3c[nH]c([C@H]4CC[C@H](NS(=O)(=O)C(C)(C)C)CC4)n3)ccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.41
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
HDAC4 P56524 1/20 0.38
KDM5B Q9UGL1 1/20 0.38
ALDH1A1 P00352 2/20 0.36
HTT P42858 2/20 0.36
RECQL P46063 1/20 0.36
LIPC P11150 1/20 0.36
PTGES2 Q9H7Z7 1/20 0.35
GRM5 P41594 1/20 0.35
TRPV1 Q8NER1 1/20 0.35
WDR5 P61964 1/20 0.35
SYK P43405 2/20 0.34
METAP2 P50579 1/20 0.34
GHSR Q92847 1/20 0.34
SCN9A Q15858 1/20 0.34
POLB P06746 2/20 0.33
CYP1A2 P05177 1/20 0.33
MAPT P10636 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
SCHEMBL90863 0.82 SMN1; SMN2 (0.39) ALDH1A1POLBMAPTKMT2ASMN1; SMN2
SCHEMBL90947 0.80 SYK (0.42) SYKMAPTSMN1; SMN2L3MBTL1
SCHEMBL90866 0.77 ABL1 (0.36) KMT2A
SCHEMBL91029 0.77 GRIA2 (0.35) CYP11B2HTTMAPTSMN1; SMN2NPSR1
SCHEMBL90997 0.77 NPY5R (0.35)
SCHEMBL90974 0.76 BRD4 (0.41) ALDH1A1HTTCYP1A2MAPTCYP2C9
SCHEMBL90867 0.75 RIPK2 (0.37) ALDH1A1HTTCYP1A2MAPTCYP2C9
SCHEMBL69642 0.75 NPY5R (0.39) LIPCSYK
SCHEMBL90906 0.75 HSD11B1 (0.39)
SCHEMBL90946 0.73 KMT2A (0.41) ALDH1A1GHSRMAPTKMT2ASMN1; SMN2

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 NOTUM 787/4885CYP11B1 1177/4885CYP11B2 983/4885
US-20110028468-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R NOTUM 787/4885CYP11B1 1177/4885CYP11B2 983/4885

“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.