SCHEMBL8575311

SCHEMBL8575311

CCS(=O)(=O)N[C@H]1CC[C@H](c2[nH]nc(-c3ccccc3)c2C#N)CC1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 4/20 0.47
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
DRD2 P14416 2/20 0.38
DRD4 P21917 2/20 0.38
DRD3 P35462 2/20 0.38
ADORA2A P29274 7/20 0.37
ADORA1 P30542 7/20 0.37
ATM Q13315 1/20 0.36
KDM4E B2RXH2 1/20 0.36
SMYD3 Q9H7B4 1/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
HPGD P15428 1/20 0.35
JAK1 P23458 1/20 0.35
SQOR Q9Y6N5 1/20 0.34

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
SCHEMBL91007 0.88 MAP2K4 (0.44) GRM5DRD3ADORA2AADORA1ATM
SCHEMBL8576816 0.86 GRM5 (0.46) GRM5MEN1KMT2ADRD2DRD4
SCHEMBL91043 0.86 GRM5 (0.46) GRM5MEN1KMT2ADRD2DRD4
SCHEMBL91008 0.76 MAP2K4 (0.41) GRM5MEN1KMT2AADORA2AADORA1
SCHEMBL90927 0.75 MAP2K4 (0.43) GRM5ADORA2AADORA1ATM
SCHEMBL90929 0.75 ATM (0.53) GRM5ADORA2AADORA1ATM
SCHEMBL90984 0.75 MAP2K4 (0.43) GRM5ADORA1ATM
SCHEMBL71054 0.73 DRD4 (0.52) MEN1KMT2ADRD2DRD4DRD3
SCHEMBL90950 0.70 DRD2 (0.50) GRM5DRD2DRD4DRD3KDM4E
SCHEMBL90979 0.70 USP30 (0.41) GRM5DRD2DRD4DRD3KDM4E

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 GRM5 97/4885MEN1 2264/4885KMT2A 2284/4885
US-20110028468-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R GRM5 97/4885MEN1 2264/4885KMT2A 2284/4885

“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.