SCHEMBL90907

SCHEMBL90907

CC(C)(C)S(=O)(=O)N[C@H]1CC[C@H](c2cc3c(OCC(F)(F)F)nccc3[nH]2)CC1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 1/20 0.38
IKBKB O14920 4/20 0.37
CHUK O15111 4/20 0.37
MAP4K1 Q92918 1/20 0.34
CDK9 P50750 6/20 0.34
CYP2C9 P11712 1/20 0.34
CASP3 P42574 1/20 0.34
CASP7 P55210 1/20 0.34
HCRTR2 O43614 2/20 0.34
CCNT1 O60563 5/20 0.33
SCN10A Q9Y5Y9 1/20 0.33
CNR2 P34972 2/20 0.33
SSTR1 P30872 1/20 0.33
SSTR4 P31391 1/20 0.33
DRD2 P14416 1/20 0.33
ADRA1D P25100 1/20 0.33
ADRA1A P35348 1/20 0.33
ADRA1B P35368 1/20 0.33
EPHX2 P34913 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
SCHEMBL91025 0.81 IKBKB (0.39) NPY5RIKBKBCHUKCDK9CYP2C9
SCHEMBL90971 0.79 HPGDS (0.38) NPY5RCNR2DRD2ADRA1DADRA1A
SCHEMBL91019 0.75 IKBKB (0.35) NPY5RIKBKBCHUKDRD2
SCHEMBL8554397 0.72 DAO (0.36) NPY5RIKBKBCHUKCDK9CCNT1
SCHEMBL8526567 0.72 PDK2 (0.41) NPY5RIKBKBCHUKCDK9CCNT1
SCHEMBL90853 0.72 NPY5R (0.39) NPY5RIKBKBCHUK
SCHEMBL8528320 0.72 NPY5R (0.45) NPY5RDRD2ADRA1DADRA1AADRA1B
SCHEMBL8577264 0.70 NPY5R (0.34) NPY5RIKBKBCHUK
SCHEMBL90918 0.70 NPY5R (0.36) NPY5RIKBKBCHUKCDK9
SCHEMBL90920 0.70 NPY5R (0.36) NPY5RIKBKBCHUKCDK9CCNT1

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 NPY5R 1/4885IKBKB 2117/4885CHUK 754/4885
US-20110028468-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R NPY5R 1/4885IKBKB 2117/4885CHUK 754/4885

“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.