SCHEMBL90973

SCHEMBL90973

CC(C)S(=O)(=O)N[C@H]1CC[C@H](c2[nH]nc(-c3ccc(C#N)cc3)c2F)CC1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRIA2 P42262 16/20 0.46
GRIA4 P48058 2/20 0.42
KCNH2 Q12809 4/20 0.41
GRIA1 P42261 2/20 0.40
GRIA3 P42263 2/20 0.40
CYP2C19 P33261 1/20 0.38
MAP2K7 O14733 1/20 0.37
MAP2K4 P45985 1/20 0.37
USP30 Q70CQ3 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
SCHEMBL8595107 0.89 GRIA2 (0.47) GRIA2KCNH2CYP2C19MAP2K7MAP2K4
SCHEMBL90940 0.89 GRIA2 (0.45) GRIA2GRIA1GRIA3CYP2C19MAP2K4
SCHEMBL90956 0.86 KDM4E (0.45) GRIA2GRIA4CYP2C19MAP2K7MAP2K4
SCHEMBL8594865 0.82 GRIA2 (0.39) GRIA2GRIA4CYP2C19USP30
SCHEMBL90926 0.81 MAP2K4 (0.47) GRIA2GRIA4CYP2C19MAP2K7MAP2K4
SCHEMBL90972 0.80 KMT2A (0.41) GRIA2CYP2C19MAP2K7MAP2K4
SCHEMBL90963 0.80 ALDH1A1 (0.41) GRIA2CYP2C19MAP2K7MAP2K4
SCHEMBL91043 0.80 GRM5 (0.46) GRIA2GRIA4KCNH2
SCHEMBL90953 0.78 GRIA2 (0.41) GRIA2GRIA4CYP2C19MAP2K4
SCHEMBL90984 0.77 MAP2K4 (0.43) GRIA2GRIA4CYP2C19MAP2K7MAP2K4

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 634/4885GRIA4 608/4885KCNH2 600/4885
US-20110028468-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R GRIA2 634/4885GRIA4 608/4885KCNH2 600/4885

“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.