SCHEMBL91000

SCHEMBL91000

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

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRIA2 P42262 11/20 0.44
JAK2 O60674 1/20 0.40
JAK3 P52333 1/20 0.40
MKNK1 Q9BUB5 1/20 0.39
MKNK2 Q9HBH9 1/20 0.39
CYP2C19 P33261 1/20 0.39
TRPV3 Q8NET8 1/20 0.38
DRD4 P21917 1/20 0.38
USP30 Q70CQ3 2/20 0.37
CYP1A2 P05177 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
SCHEMBL91006 0.87 MKNK1 (0.40) JAK2JAK3MKNK1MKNK2DRD4
SCHEMBL8547726 0.86 MKNK1 (0.39) JAK2JAK3MKNK1MKNK2DRD4
SCHEMBL90957 0.84 MKNK1 (0.57) GRIA2MKNK1MKNK2CYP2C19DRD4
SCHEMBL8552199 0.82 GRIA2 (0.45) GRIA2JAK2JAK3MKNK1MKNK2
SCHEMBL90865 0.81 GRIA2 (0.47) GRIA2MKNK1MKNK2CYP2C19CYP1A2
SCHEMBL8576809 0.80 GRIA2 (0.46) GRIA2MKNK1MKNK2CYP2C19DRD4
SCHEMBL90978 0.79 DRD4 (0.48) GRIA2MKNK1MKNK2DRD4USP30
SCHEMBL91036 0.79 GRIA2 (0.47) GRIA2DRD4USP30CYP1A2
SCHEMBL90939 0.71 USP30 (0.52) MKNK1MKNK2DRD4USP30
SCHEMBL90973 0.71 GRIA2 (0.46) GRIA2CYP2C19USP30

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 GRIA2 634/4885JAK2 348/4885JAK3 1064/4885
US-20110028468-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R GRIA2 634/4885JAK2 348/4885JAK3 1064/4885

“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.