SCHEMBL90865

SCHEMBL90865

CC(C)S(=O)(=O)N[C@H]1CC[C@H](c2cc(-c3cccc(F)c3)n[nH]2)CC1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRIA2 P42262 14/20 0.47
CCNA2 P20248 1/20 0.44
CDK2 P24941 1/20 0.44
CCNA1 P78396 1/20 0.44
MEN1 O00255 1/20 0.43
POLB P06746 1/20 0.43
KMT2A Q03164 1/20 0.43
GRIA4 P48058 1/20 0.43
MKNK1 Q9BUB5 1/20 0.43
MKNK2 Q9HBH9 1/20 0.43
MAP2K4 P45985 1/20 0.41
CYP2C19 P33261 1/20 0.41
CYP1A2 P05177 1/20 0.41

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
SCHEMBL8576809 0.89 GRIA2 (0.46) GRIA2MEN1KMT2AGRIA4MKNK1
SCHEMBL90957 0.88 MKNK1 (0.57) GRIA2MEN1KMT2AMKNK1MKNK2
SCHEMBL90978 0.88 DRD4 (0.48) GRIA2CCNA2CDK2CCNA1MEN1
SCHEMBL91036 0.87 GRIA2 (0.47) GRIA2CCNA2CDK2CCNA1MEN1
SCHEMBL8573299 0.86 CCNA2 (0.47) CCNA2CDK2CCNA1MEN1POLB
SCHEMBL90995 0.85 MEN1 (0.46) CCNA2CDK2CCNA1MEN1POLB
SCHEMBL8552199 0.82 GRIA2 (0.45) GRIA2GRIA4MKNK1MKNK2CYP2C19
SCHEMBL90926 0.81 MAP2K4 (0.47) GRIA2GRIA4MAP2K4CYP2C19CYP1A2
SCHEMBL91000 0.81 GRIA2 (0.44) GRIA2MKNK1MKNK2CYP2C19CYP1A2
SCHEMBL91027 0.80 MAP2K4 (0.46) GRIA2GRIA4MAP2K4CYP2C19CYP1A2

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 634/4885CCNA2 2962/4885CDK2 2612/4885
US-20110028468-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R GRIA2 634/4885CCNA2 2962/4885CDK2 2612/4885

“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.