SCHEMBL71049

SCHEMBL71049

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

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KIT P10721 5/20 0.47
TRPA1 O75762 2/20 0.39
CCR6 P51684 1/20 0.38
FASN P49327 5/20 0.38
PDE4A P27815 2/20 0.37
PDE4C Q08493 2/20 0.37
PDE4D Q08499 2/20 0.37
USP30 Q70CQ3 2/20 0.37
PDE4B Q07343 1/20 0.36
ADORA2A P29274 2/20 0.36
CSNK1A1 P48729 1/20 0.35
CSNK1D P48730 1/20 0.35
RPS6KA3 P51812 1/20 0.35
ADORA2B P29275 1/20 0.35
ADORA1 P30542 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
SCHEMBL71325 0.89 KIT (0.49) KITFASN
SCHEMBL71894 0.86 KIT (0.40) KITADORA2AADORA1
SCHEMBL71900 0.85 KIT (0.51) KITPDE4APDE4CPDE4DPDE4B
SCHEMBL69782 0.81 NPY5R (0.39) KITCCR6
SCHEMBL90986 0.81 LRRK2 (0.38) CCR6USP30
SCHEMBL90952 0.79 KIT (0.51) KITADORA1
SCHEMBL70666 0.79 KIT (0.42) KITPDE4B
SCHEMBL91035 0.78 USP30 (0.43) TRPA1CCR6USP30ADORA2A
SCHEMBL91001 0.76 USP30 (0.54) USP30
SCHEMBL70398 0.75 AGER (0.39) KITFASN

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 KIT 1375/4885TRPA1 742/4885CCR6 1761/4885
US-20110028468-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R KIT 1375/4885TRPA1 742/4885CCR6 1761/4885

“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.