SCHEMBL8552199

SCHEMBL8552199

CC(C)S(=O)(=O)N[C@H]1CC[C@H](c2cc(-c3cc(F)cc(C#N)c3)n[nH]2)CC1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRIA2 P42262 9/20 0.45
MKNK1 Q9BUB5 2/20 0.40
MKNK2 Q9HBH9 2/20 0.40
USP30 Q70CQ3 2/20 0.38
PGR P06401 2/20 0.35
CYP2C19 P33261 1/20 0.35
JAK2 O60674 1/20 0.35
JAK3 P52333 1/20 0.35
GRIA4 P48058 2/20 0.35
KCNJ5 P48544 1/20 0.34

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
SCHEMBL8576809 0.90 GRIA2 (0.46) GRIA2MKNK1MKNK2CYP2C19GRIA4
SCHEMBL8594304 0.86 MKNK1 (0.40) MKNK1MKNK2USP30PGR
SCHEMBL90957 0.82 MKNK1 (0.57) GRIA2MKNK1MKNK2CYP2C19
SCHEMBL90865 0.82 GRIA2 (0.47) GRIA2MKNK1MKNK2CYP2C19GRIA4
SCHEMBL91000 0.82 GRIA2 (0.44) GRIA2MKNK1MKNK2USP30CYP2C19
SCHEMBL90978 0.78 DRD4 (0.48) GRIA2MKNK1MKNK2USP30
SCHEMBL8579108 0.76 MKNK1 (0.44) MKNK1MKNK2JAK2JAK3
SCHEMBL90940 0.74 GRIA2 (0.45) GRIA2USP30CYP2C19
SCHEMBL91036 0.73 GRIA2 (0.47) GRIA2USP30
SCHEMBL90973 0.73 GRIA2 (0.46) GRIA2USP30CYP2C19GRIA4

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 634/4885MKNK1 3443/4885MKNK2 2861/4885
US-20110028468-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R GRIA2 634/4885MKNK1 3443/4885MKNK2 2861/4885

“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.