SCHEMBL71054

SCHEMBL71054

CCS(=O)(=O)N[C@H]1CC[C@H](c2cc(-c3ccccc3)n[nH]2)CC1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 10/20 0.52
DRD2 P14416 9/20 0.52
DRD3 P35462 6/20 0.52
MAPK8 P45983 1/20 0.47
USP30 Q70CQ3 1/20 0.44
MKNK1 Q9BUB5 2/20 0.43
MKNK2 Q9HBH9 2/20 0.43
CCNA2 P20248 2/20 0.43
CDK2 P24941 2/20 0.43
CCNA1 P78396 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMYD3 Q9H7B4 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
SCHEMBL8573299 0.88 CCNA2 (0.47) DRD4DRD2DRD3USP30MKNK1
SCHEMBL90870 0.84 DRD4 (0.48) DRD4DRD2DRD3MAPK8USP30
SCHEMBL90978 0.84 DRD4 (0.48) DRD4DRD2DRD3MAPK8USP30
SCHEMBL8579108 0.84 MKNK1 (0.44) DRD4DRD2DRD3MKNK1MKNK2
SCHEMBL2374222 0.81 DRD4 (0.67) DRD4DRD2DRD3USP30MKNK1
SCHEMBL91006 0.79 MKNK1 (0.40) DRD4DRD2DRD3USP30MKNK1
SCHEMBL90983 0.74 DRD2 (0.50) DRD4DRD2DRD3USP30MKNK1
SCHEMBL91004 0.73 DRD4 (0.57) DRD4DRD2DRD3MKNK1MKNK2
SCHEMBL90957 0.73 MKNK1 (0.57) DRD4MKNK1MKNK2MEN1KMT2A
SCHEMBL91023 0.73 MKNK1 (0.57) DRD4DRD2DRD3MKNK1MKNK2

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 6 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-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
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 DRD4 577/4885DRD2 351/4885DRD3 352/4885
US-20110028468-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R DRD4 577/4885DRD2 351/4885DRD3 352/4885

“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.