SCHEMBL90964

SCHEMBL90964

C[C@@H]1CN(c2ccc3[nH]c([C@H]4CC[C@H](NS(=O)(=O)C(C)(C)C)CC4)cc3n2)C[C@H](C)O1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
PDE10A Q9Y233 1/20 0.33
KMT2A Q03164 1/20 0.32
TLR9 Q9NR96 1/20 0.32
TLR8 Q9NR97 1/20 0.32
TLR7 Q9NYK1 1/20 0.32
MAP3K7 O43318 1/20 0.32
ATM Q13315 2/20 0.31
BRD4 O60885 1/20 0.31
PIK3CA P42336 1/20 0.31
NPY5R Q15761 1/20 0.31
FFAR2 O15552 3/20 0.30
BTK Q06187 1/20 0.30
KCNH2 Q12809 1/20 0.30

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
SCHEMBL69615 0.86 NPY5R (0.36) BRD4NPY5R
SCHEMBL90919 0.86 BRD4 (0.34) KDM4EALDH1A1GAAHPGDATM
SCHEMBL90966 0.85 NPY5R (0.38) BRD4NPY5R
SCHEMBL90852 0.81 BRD4 (0.35) TDP1BRD4NPY5R
SCHEMBL90914 0.80 NPY5R (0.34) ALDH1A1NPSR1TDP1BRD4NPY5R
SCHEMBL90920 0.80 NPY5R (0.36) TDP1KMT2ABRD4NPY5R
SCHEMBL90923 0.80 KMT2A (0.35) KMT2AMAP3K7FFAR2
SCHEMBL91019 0.79 IKBKB (0.35) KDM4EALDH1A1HPGDTDP1KMT2A
SCHEMBL8576076 0.79 USP30 (0.33) KDM4EALDH1A1HPGDNPY5RFFAR2
SCHEMBL90853 0.78 NPY5R (0.39) TDP1KMT2ABRD4NPY5R

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 KDM4E 1623/4885ALDH1A1 4801/4885GAA 4463/4885
US-20110028468-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R KDM4E 1623/4885ALDH1A1 4801/4885GAA 4463/4885

“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.