SCHEMBL90870

SCHEMBL90870

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 7/20 0.48
DRD2 P14416 6/20 0.48
DRD3 P35462 3/20 0.48
MAPK8 P45983 1/20 0.46
USP30 Q70CQ3 2/20 0.43
MKNK1 Q9BUB5 2/20 0.42
MKNK2 Q9HBH9 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
POLB P06746 1/20 0.42
CHEK1 O14757 1/20 0.41
RET P07949 1/20 0.41
PDGFRB P09619 1/20 0.41
PIM1 P11309 1/20 0.41
PDGFRA P16234 1/20 0.41
GSK3B P49841 1/20 0.41
RPS6KA3 P51812 1/20 0.41
LIMK1 P53667 1/20 0.41
CDK5 Q00535 1/20 0.41
TYRO3 Q06418 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
SCHEMBL90983 0.89 DRD2 (0.50) DRD4DRD2DRD3USP30MKNK1
SCHEMBL91023 0.88 MKNK1 (0.57) DRD4DRD2DRD3MKNK1MKNK2
SCHEMBL91004 0.88 DRD4 (0.57) DRD4DRD2DRD3MKNK1MKNK2
SCHEMBL90995 0.88 MEN1 (0.46) DRD4DRD2DRD3USP30MKNK1
SCHEMBL91037 0.88 DRD4 (0.44) DRD4DRD2DRD3USP30MEN1
SCHEMBL91005 0.86 MEN1 (0.61) DRD4USP30MEN1KMT2APOLB
SCHEMBL90872 0.86 PLK1 (0.48) USP30MEN1KMT2APOLBGSK3B
SCHEMBL90939 0.85 USP30 (0.52) DRD4USP30MKNK1MKNK2MEN1
SCHEMBL91001 0.85 USP30 (0.54) USP30MEN1KMT2APOLBGSK3B
SCHEMBL71054 0.84 DRD4 (0.52) DRD4DRD2DRD3MAPK8USP30

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 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.