SCHEMBL91039

SCHEMBL91039

CC(C)(C)S(=O)(=O)N[C@H]1CC[C@H](c2[nH]nc(-c3ccc(F)cc3)c2Cl)CC1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAP2K4 P45985 7/20 0.43
MAP2K7 O14733 1/20 0.43
MAPK11 Q15759 9/20 0.39
MAPK14 Q16539 9/20 0.39
KCNH2 Q12809 1/20 0.38
NPY5R Q15761 1/20 0.35
P2RX7 Q99572 2/20 0.35
HTR6 P50406 1/20 0.33

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
SCHEMBL16300074 0.89 DRD2 (0.39) MAP2K4MAP2K7MAPK11MAPK14NPY5R
SCHEMBL90932 0.88 MAP2K4 (0.46) MAP2K4MAP2K7MAPK11MAPK14NPY5R
SCHEMBL91008 0.85 MAP2K4 (0.41) MAP2K4MAP2K7MAPK11MAPK14KCNH2
SCHEMBL90979 0.81 USP30 (0.41) MAP2K4MAP2K7MAPK11MAPK14KCNH2
SCHEMBL90950 0.77 DRD2 (0.50) MAP2K4MAP2K7MAPK11MAPK14KCNH2
SCHEMBL91023 0.77 MKNK1 (0.57) MAP2K4MAP2K7
SCHEMBL90925 0.76 MAP2K4 (0.46) MAP2K4MAP2K7MAPK11MAPK14NPY5R
SCHEMBL8595107 0.74 GRIA2 (0.47) MAP2K4MAP2K7MAPK11MAPK14KCNH2
SCHEMBL8594191 0.74 KDM4E (0.45)
SCHEMBL8576816 0.74 GRM5 (0.46) MAP2K4

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 MAP2K4 419/4885MAP2K7 391/4885MAPK11 1088/4885
US-20110028468-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R MAP2K4 419/4885MAP2K7 391/4885MAPK11 1088/4885

“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.