SCHEMBL91027

SCHEMBL91027

CC(C)S(=O)(=O)N[C@H]1CC[C@H](c2[nH]nc(-c3cccc(F)c3)c2Cl)CC1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAP2K4 P45985 4/20 0.46
GRIA2 P42262 14/20 0.41
GRIA4 P48058 1/20 0.41
CYP2C19 P33261 1/20 0.39
MAP2K7 O14733 2/20 0.39
CYP1A2 P05177 1/20 0.39

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
SCHEMBL90926 0.90 MAP2K4 (0.47) MAP2K4GRIA2GRIA4CYP2C19MAP2K7
SCHEMBL91040 0.90 MAPK11 (0.44) MAP2K4GRIA2CYP2C19CYP1A2
SCHEMBL8594191 0.88 KDM4E (0.45) GRIA2GRIA4CYP2C19CYP1A2
SCHEMBL90932 0.86 MAP2K4 (0.46) MAP2K4MAP2K7
SCHEMBL90984 0.86 MAP2K4 (0.43) MAP2K4GRIA2GRIA4CYP2C19MAP2K7
SCHEMBL90865 0.80 GRIA2 (0.47) MAP2K4GRIA2GRIA4CYP2C19CYP1A2
SCHEMBL90956 0.79 KDM4E (0.45) MAP2K4GRIA2GRIA4CYP2C19MAP2K7
SCHEMBL90940 0.78 GRIA2 (0.45) MAP2K4GRIA2CYP2C19CYP1A2
SCHEMBL90929 0.78 ATM (0.53) MAP2K4GRIA2CYP1A2
SCHEMBL8595107 0.77 GRIA2 (0.47) MAP2K4GRIA2CYP2C19MAP2K7CYP1A2

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 419/4885GRIA2 634/4885GRIA4 608/4885
US-20110028468-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R MAP2K4 419/4885GRIA2 634/4885GRIA4 608/4885

“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.