SCHEMBL91038

SCHEMBL91038

CC(C)S(=O)(=O)N[C@H]1CC[C@H](c2nc(-c3ccc(F)cc3)n[nH]2)CC1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRIA2 P42262 12/20 0.47
KIT P10721 2/20 0.44
AOC3 Q16853 4/20 0.40
CYP2C19 P33261 1/20 0.39
MAP2K7 O14733 1/20 0.39
MAP2K4 P45985 1/20 0.39
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
SCHEMBL90969 0.89 GRIA2 (0.47) GRIA2AOC3CYP1A2
SCHEMBL90859 0.88 USP30 (0.45) GRIA2CYP1A2
SCHEMBL91042 0.81 ULK1 (0.43) GRIA2CYP1A2
SCHEMBL90957 0.80 MKNK1 (0.57) GRIA2CYP2C19MAP2K7MAP2K4CYP1A2
SCHEMBL8595107 0.79 GRIA2 (0.47) GRIA2CYP2C19MAP2K7MAP2K4CYP1A2
SCHEMBL91002 0.74 GRIA2 (0.48) GRIA2CYP2C19CYP1A2
SCHEMBL8528846 0.74 RAB9A (0.40) GRIA2KITAOC3
SCHEMBL8546830 0.74 CPT1A (0.39) KITAOC3MAP2K7MAP2K4
SCHEMBL90944 0.74 USP30 (0.44) AOC3
SCHEMBL10070513 0.73 MKNK1 (0.54) KITAOC3

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 634/4885KIT 1375/4885AOC3 1534/4885
US-20110028468-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R GRIA2 634/4885KIT 1375/4885AOC3 1534/4885

“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.