SCHEMBL91006

SCHEMBL91006

CCS(=O)(=O)N[C@H]1CC[C@H](c2cc(-c3ccc(F)c(C#N)c3)n[nH]2)CC1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40
SGK1 O00141 2/20 0.38
DRD4 P21917 2/20 0.38
AR P10275 1/20 0.38
USP30 Q70CQ3 6/20 0.37
JAK2 O60674 1/20 0.37
JAK3 P52333 1/20 0.37
JAK1 P23458 1/20 0.36
DRD2 P14416 1/20 0.36
DRD3 P35462 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PGR P06401 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36

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
SCHEMBL8547726 0.87 MKNK1 (0.39) MKNK1MKNK2SGK1DRD4USP30
SCHEMBL91000 0.87 GRIA2 (0.44) MKNK1MKNK2DRD4USP30JAK2
SCHEMBL8573299 0.81 CCNA2 (0.47) MKNK1MKNK2DRD4USP30JAK1
SCHEMBL8579108 0.80 MKNK1 (0.44) MKNK1MKNK2DRD4JAK2JAK3
SCHEMBL71054 0.79 DRD4 (0.52) MKNK1MKNK2DRD4USP30DRD2
SCHEMBL90939 0.71 USP30 (0.52) MKNK1MKNK2DRD4USP30MEN1
SCHEMBL13087659 0.70 SCN9A (0.37) SGK1ARCYP11B1CYP11B2
SCHEMBL91023 0.70 MKNK1 (0.57) MKNK1MKNK2DRD4DRD2DRD3
SCHEMBL90957 0.70 MKNK1 (0.57) MKNK1MKNK2DRD4MEN1KMT2A
SCHEMBL14985498 0.70 MKNK1 (0.56) MKNK1MKNK2DRD4USP30DRD2

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 MKNK1 3443/4885MKNK2 2861/4885SGK1 2629/4885
US-20110028468-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R MKNK1 3443/4885MKNK2 2861/4885SGK1 2629/4885

“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.