SCHEMBL90912

SCHEMBL90912

CC(C)(C)S(=O)(=O)N[C@H]1CC[C@H](c2cc3cc(-c4cnccn4)ccc3[nH]2)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.38
DYRK1A Q13627 6/20 0.38
GSK3B P49841 5/20 0.38
CTPS1 P17812 5/20 0.36
IKBKB O14920 2/20 0.35
CHUK O15111 2/20 0.35
PIK3CD O00329 1/20 0.35
PIK3CA P42336 1/20 0.35
PIK3CB P42338 1/20 0.35
MTOR P42345 1/20 0.35
PIK3CG P48736 1/20 0.35
PIK3C3 Q8NEB9 1/20 0.35
LRRK2 Q5S007 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
NPY5R Q15761 1/20 0.34
KDM4E B2RXH2 1/20 0.33
GLA P06280 1/20 0.33
MLLT1 Q03111 1/20 0.33

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
SCHEMBL90897 0.88 ABL1 (0.36) ABL1DYRK1AGSK3BIKBKBCHUK
SCHEMBL90916 0.84 IKBKB (0.36) DYRK1AGSK3BIKBKBCHUKNPY5R
SCHEMBL8547324 0.81 IKBKB (0.34) IKBKBCHUKHDAC3HDAC1HDAC2
SCHEMBL8576066 0.81 IKBKB (0.35) IKBKBCHUKNPY5R
SCHEMBL8572135 0.80 NPY5R (0.36) ABL1DYRK1AGSK3BIKBKBCHUK
SCHEMBL91021 0.77 GRIA2 (0.40) NPY5R
SCHEMBL91022 0.76 SMO (0.37) ABL1IKBKBCHUKNPY5R
SCHEMBL8528320 0.76 NPY5R (0.45) NPY5R
SCHEMBL90918 0.76 NPY5R (0.36) DYRK1AGSK3BIKBKBCHUKNPY5R
SCHEMBL8594764 0.76 MKNK2 (0.34) DYRK1AGSK3BIKBKBCHUKNPY5R

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 ABL1 619/4885DYRK1A 216/4885GSK3B 2482/4885
US-20110028468-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R ABL1 619/4885DYRK1A 216/4885GSK3B 2482/4885

“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.