SCHEMBL90938

SCHEMBL90938

CC(C)(C)S(=O)(=O)N[C@H]1CC[C@H](c2cc3nc(-c4ccc(Cl)nc4)ccc3[nH]2)CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.35
HRH3 Q9Y5N1 1/20 0.35
ALDH1A1 P00352 3/20 0.34
NPY5R Q15761 1/20 0.34
GRIA2 P42262 1/20 0.33
NPC1 O15118 3/20 0.33
KDM4E B2RXH2 2/20 0.33
RAB9A P51151 2/20 0.33
LIPG Q9Y5X9 1/20 0.33
DGAT1 O75907 2/20 0.32
IKBKB O14920 2/20 0.32
CHUK O15111 2/20 0.32
HDAC8 Q9BY41 1/20 0.31
POLB P06746 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
NFKB1 P19838 1/20 0.31
PPARG P37231 1/20 0.31
CASP3 P42574 1/20 0.31

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
SCHEMBL91024 0.89 GRIA2 (0.41) NPY5RGRIA2LIPGMAPT
SCHEMBL90993 0.88 CDK9 (0.33) NPY5RGRIA2IKBKBCHUKBRD4
SCHEMBL90914 0.87 NPY5R (0.34) ALDH1A1NPY5RIKBKBCHUKMAPT
SCHEMBL8594764 0.85 MKNK2 (0.34) NPY5RIKBKBCHUKMAPTBRD4
SCHEMBL90911 0.81 SMO (0.36) ALDH1A1NPY5RNPC1KDM4ERAB9A
SCHEMBL90852 0.80 BRD4 (0.35) NPY5RGRIA2IKBKBCHUKBRD4
SCHEMBL8594209 0.80 RAB9A (0.34) KCNH2HRH3NPY5RRAB9AIKBKB
SCHEMBL90855 0.80 KDM5A (0.33) NPY5RIKBKBCHUKBRD4
SCHEMBL90920 0.79 NPY5R (0.36) NPY5RIKBKBCHUKKMT2ABRD4
SCHEMBL90918 0.79 NPY5R (0.36) ALDH1A1NPY5RIKBKBCHUKBRD4

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 KCNH2 600/4885HRH3 257/4885ALDH1A1 4801/4885
US-20110028468-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R KCNH2 600/4885HRH3 257/4885ALDH1A1 4801/4885

“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.