SCHEMBL90971

SCHEMBL90971

CC(C)(C)S(=O)(=O)N[C@H]1CC[C@H](c2cc3nc(OCC(F)(F)F)ccc3[nH]2)CC1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.38
NPY5R Q15761 1/20 0.38
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
CNR2 P34972 4/20 0.33
DRD2 P14416 5/20 0.33
ADRA1D P25100 4/20 0.33
ADRA1A P35348 4/20 0.33
ADRA1B P35368 4/20 0.33
BRD4 O60885 1/20 0.32
DRD3 P35462 3/20 0.32
NR1H2 P55055 1/20 0.31
NR1H3 Q13133 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
SCHEMBL90853 0.84 NPY5R (0.39) NPY5RPTGS1PTGS2BRD4
SCHEMBL90856 0.83 NPY5R (0.32) NPY5RBRD4
SCHEMBL90854 0.82 ADORA2A (0.33) NPY5RBRD4
SCHEMBL90920 0.82 NPY5R (0.36) NPY5RCNR2BRD4
SCHEMBL90852 0.81 BRD4 (0.35) NPY5RBRD4
SCHEMBL90914 0.80 NPY5R (0.34) NPY5RCNR2BRD4
SCHEMBL90907 0.79 NPY5R (0.38) NPY5RCNR2DRD2ADRA1DADRA1A
SCHEMBL91024 0.77 GRIA2 (0.41) NPY5R
SCHEMBL69615 0.77 NPY5R (0.36) HPGDSNPY5RBRD4
SCHEMBL90911 0.76 SMO (0.36) NPY5R

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 HPGDS 3256/4885NPY5R 1/4885PTGS1 2317/4885
US-20110028468-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R HPGDS 3256/4885NPY5R 1/4885PTGS1 2317/4885

“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.