Sugi Predict

Sugi Predict / Compounds / SCHEMBL70610

SCHEMBL70610

SCHEMBL70610

CC(C)c1[nH]c([C@H]2CC[C@H](NS(=O)(=O)C(C)(C)C)CC2)nc1-c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PDE2A O00408 2/20 0.36
▸ KIT P10721 5/20 0.35
▸ MAPK14 Q16539 4/20 0.35
▸ SMPD3 Q9NY59 1/20 0.34
▸ ADORA1 P30542 3/20 0.34
▸ ADORA3 P0DMS8 2/20 0.34
▸ ADORA2A P29274 2/20 0.34
▸ CKS1B P61024 2/20 0.33
▸ SKP1 P63208 2/20 0.33
▸ SKP2 Q13309 2/20 0.33
▸ NPY5R Q15761 1/20 0.33
▸ MAPK13 O15264 2/20 0.33
▸ RAF1 P04049 2/20 0.33
▸ MAPK9 P45984 2/20 0.33
▸ MAPK12 P53778 2/20 0.33
▸ MAPK11 Q15759 2/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ HTR2B P41595 1/20 0.32

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
SCHEMBL70995 0.86 KIT (0.43) PDE2AKITADORA1ADORA3ADORA2A
SCHEMBL90941 0.85 KIT (0.36) PDE2AKITADORA1ADORA3ADORA2A
SCHEMBL71894 0.83 KIT (0.40) KITADORA1ADORA3ADORA2ANPY5R
SCHEMBL69646 0.82 KIT (0.35) PDE2AKITADORA1ADORA3ADORA2A
SCHEMBL2884128 0.76 HTR2B (0.47) PDE2ANPY5RHTR2B
SCHEMBL2884131 0.76 NPY5R (0.49) NPY5RHTR2B
SCHEMBL2884125 0.76 HTR2B (0.47) PDE2ANPY5RHTR2B
SCHEMBL90997 0.76 NPY5R (0.35) ADORA1ADORA3ADORA2ANPY5RHTR2B
SCHEMBL90944 0.76 USP30 (0.44) NPY5R
SCHEMBL2884475 0.75 HTR2B (0.40) ADORA1ADORA2ANPY5RHTR2B

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 PDE2A 1279/4885KIT 1375/4885MAPK14 1901/4885
US-20110028468-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R PDE2A 1279/4885KIT 1375/4885MAPK14 1901/4885

“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.