SCHEMBL8576809

SCHEMBL8576809

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

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRIA2 P42262 13/20 0.46
MKNK1 Q9BUB5 2/20 0.43
MKNK2 Q9HBH9 2/20 0.43
GRIA4 P48058 1/20 0.42
CYP2C19 P33261 1/20 0.40
CYP1A2 P05177 1/20 0.37
MAP2K7 O14733 1/20 0.37
MAP2K4 P45985 1/20 0.37
IGF1R P08069 1/20 0.36
DRD4 P21917 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 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
SCHEMBL8552199 0.90 GRIA2 (0.45) GRIA2MKNK1MKNK2GRIA4CYP2C19
SCHEMBL90957 0.90 MKNK1 (0.57) GRIA2MKNK1MKNK2CYP2C19CYP1A2
SCHEMBL90865 0.89 GRIA2 (0.47) GRIA2MKNK1MKNK2GRIA4CYP2C19
SCHEMBL8579108 0.85 MKNK1 (0.44) MKNK1MKNK2MAP2K7MAP2K4IGF1R
SCHEMBL90978 0.85 DRD4 (0.48) GRIA2MKNK1MKNK2CYP1A2DRD4
SCHEMBL91000 0.80 GRIA2 (0.44) GRIA2MKNK1MKNK2CYP2C19CYP1A2
SCHEMBL91036 0.80 GRIA2 (0.47) GRIA2CYP1A2IGF1RDRD4MEN1
SCHEMBL8594304 0.75 MKNK1 (0.40) MKNK1MKNK2MEN1KMT2A
SCHEMBL8573299 0.74 CCNA2 (0.47) MKNK1MKNK2MAP2K7MAP2K4DRD4
SCHEMBL90926 0.74 MAP2K4 (0.47) GRIA2GRIA4CYP2C19CYP1A2MAP2K7

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.