SCHEMBL90847

SCHEMBL90847

CC(C)(C)S(=O)(=O)N[C@H]1CC[C@H](c2cc3c(-c4cccc(C#N)c4)cccc3[nH]2)CC1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PARP14 Q460N5 2/20 0.36
CCNT1 O60563 1/20 0.35
CDK9 P50750 1/20 0.35
CREBBP Q92793 1/20 0.35
CHEK1 O14757 1/20 0.35
WEE1 P30291 1/20 0.35
TLR9 Q9NR96 1/20 0.35
LRRK2 Q5S007 6/20 0.34
SRC P12931 1/20 0.34
CCNA2 P20248 1/20 0.34
CDK2 P24941 1/20 0.34
GSK3B P49841 1/20 0.34
PLAT P00750 1/20 0.34
IKBKB O14920 1/20 0.33
CHUK O15111 1/20 0.33
TNKS O95271 1/20 0.33
PARP2 Q9UGN5 1/20 0.33
ALK Q9UM73 1/20 0.33
CSNK1E P49674 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
SCHEMBL91001 0.79 USP30 (0.54) SRCCCNA2CDK2GSK3B
SCHEMBL8554397 0.78 DAO (0.36) CCNT1CDK9IKBKBCHUK
SCHEMBL8526567 0.77 PDK2 (0.41) CCNT1CDK9CDK2GSK3BIKBKB
SCHEMBL8552097 0.75 GAA (0.36) CDK2IKBKBCHUK
SCHEMBL90986 0.74 LRRK2 (0.38) LRRK2
SCHEMBL71049 0.73 KIT (0.47)
SCHEMBL91035 0.72 USP30 (0.43) SRCCCNA2CDK2GSK3B
SCHEMBL91025 0.70 IKBKB (0.39) CCNT1CDK9IKBKBCHUK
SCHEMBL8576803 0.70 SCN9A (0.38) CCNA2CDK2
SCHEMBL90939 0.69 USP30 (0.52) SRCCCNA2CDK2GSK3B

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 PARP14 3019/4885CCNT1 3615/4885CDK9 2907/4885
US-20110028468-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R PARP14 3019/4885CCNT1 3615/4885CDK9 2907/4885

“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.