SCHEMBL90838

SCHEMBL90838

CC(C)(C)S(=O)(=O)N[C@H]1CC[C@H](c2nc(-c3cccc(Cl)c3)n[nH]2)CC1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ULK1 O75385 1/20 0.40
CNR2 P34972 2/20 0.38
IDH1 O75874 1/20 0.36
HSD11B1 P28845 1/20 0.36
PIM1 P11309 1/20 0.36
PDE4B Q07343 2/20 0.36
PDE4D Q08499 2/20 0.36
GPR142 Q7Z601 1/20 0.36
FYN P06241 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
MAPK14 Q16539 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
CCNA2 P20248 1/20 0.35
CDK2 P24941 1/20 0.35
CCNA1 P78396 1/20 0.35

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
SCHEMBL91041 0.89 SCN9A (0.33) ULK1CNR2HSD11B1MAPK14
SCHEMBL8528846 0.87 RAB9A (0.40) HSD11B1MAPK14RAB9A
SCHEMBL90944 0.87 USP30 (0.44) ULK1HSD11B1
SCHEMBL91042 0.87 ULK1 (0.43) ULK1IDH1HSD11B1PIM1PDE4B
SCHEMBL8546830 0.84 CPT1A (0.39) ULK1MAPK14KMT2A
SCHEMBL90906 0.82 HSD11B1 (0.39) CNR2HSD11B1PIM1CHRM1CHRM3
SCHEMBL91037 0.81 DRD4 (0.44) PIM1KMT2ACCNA2CDK2CCNA1
SCHEMBL90833 0.77 PIM1 (0.39) CNR2HSD11B1PIM1CHRM1CHRM3
SCHEMBL10070543 0.75 GABRA1 (0.45) ULK1FYNCHRM1CHRM3KMT2A
Hydrochloric Acid SCHEMBL31583248 0.74 GABRA1 (0.44) ULK1FYNCHRM1CHRM3RAB9A

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 ULK1 4354/4885CNR2 47/4885IDH1 3141/4885
US-20110028468-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R ULK1 4354/4885CNR2 47/4885IDH1 3141/4885

“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.