SCHEMBL8573299

SCHEMBL8573299

CCS(=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 20)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 1/20 0.47
CDK2 P24941 1/20 0.47
CCNA1 P78396 1/20 0.47
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
POLB P06746 1/20 0.44
MKNK1 Q9BUB5 2/20 0.44
MKNK2 Q9HBH9 2/20 0.44
CCNT1 O60563 1/20 0.43
MAP2K4 P45985 3/20 0.42
NPY5R Q15761 1/20 0.42
DRD3 P35462 2/20 0.40
DRD2 P14416 2/20 0.40
DRD4 P21917 2/20 0.40
JAK1 P23458 1/20 0.39
SMYD3 Q9H7B4 1/20 0.38
USP30 Q70CQ3 2/20 0.38
HTR2A P28223 1/20 0.38
MAPT P10636 3/20 0.38
ALOX15 P16050 3/20 0.38

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
SCHEMBL8579108 0.89 MKNK1 (0.44) CCNA2CDK2CCNA1MEN1KMT2A
SCHEMBL71054 0.88 DRD4 (0.52) CCNA2CDK2CCNA1MEN1KMT2A
SCHEMBL90995 0.86 MEN1 (0.46) CCNA2CDK2CCNA1MEN1KMT2A
SCHEMBL90865 0.86 GRIA2 (0.47) CCNA2CDK2CCNA1MEN1KMT2A
SCHEMBL91006 0.81 MKNK1 (0.40) MEN1KMT2AMKNK1MKNK2DRD3
SCHEMBL91007 0.77 MAP2K4 (0.44) CCNA2CDK2CCNA1CCNT1MAP2K4
SCHEMBL8576809 0.74 GRIA2 (0.46) MEN1KMT2AMKNK1MKNK2MAP2K4
SCHEMBL91023 0.73 MKNK1 (0.57) MEN1KMT2APOLBMKNK1MKNK2
SCHEMBL90957 0.73 MKNK1 (0.57) MEN1KMT2AMKNK1MKNK2MAP2K4
SCHEMBL91037 0.73 DRD4 (0.44) CCNA2CDK2CCNA1MEN1KMT2A

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 CCNA2 2962/4885CDK2 2612/4885CCNA1 2929/4885
US-20110028468-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R CCNA2 2962/4885CDK2 2612/4885CCNA1 2929/4885

“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.