SCHEMBL91030

SCHEMBL91030

CC(C)(C)S(=O)(=O)N[C@H]1CC[C@H](c2cc(-c3ccccc3)[nH]c2C#N)CC1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.34
GAA P10253 3/20 0.34
ALDH1A1 P00352 2/20 0.33
KMT2A Q03164 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
GLA P06280 1/20 0.33
HPGD P15428 1/20 0.33
ATM Q13315 1/20 0.33
HCRTR2 O43614 2/20 0.32
BRD4 O60885 1/20 0.32
NPY5R Q15761 1/20 0.31
PGR P06401 1/20 0.31
UCHL1 P09936 1/20 0.31
USP30 Q70CQ3 1/20 0.31
ADORA2B P29275 1/20 0.31
KIT P10721 2/20 0.31
THRB P10828 1/20 0.31
VCP P55072 1/20 0.31

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
SCHEMBL8552097 0.81 GAA (0.36) KDM4EGAAALDH1A1KMT2AGLA
SCHEMBL90951 0.72 GAA (0.36) KDM4EGAAALDH1A1KMT2AHPGD
SCHEMBL8576816 0.72 GRM5 (0.46) KDM4EGAAALDH1A1KMT2AATM
SCHEMBL16300069 0.71 YTHDF3 (0.35) BRD4NPY5R
SCHEMBL90870 0.70 DRD4 (0.48) GAAKMT2AUSP30
SCHEMBL16300070 0.69 NPY5R (0.35) KDM4EALDH1A1BRD4NPY5RUCHL1
SCHEMBL8576803 0.69 SCN9A (0.38) KDM4EALDH1A1KMT2AHPGDHCRTR2
SCHEMBL70995 0.68 KIT (0.43) NPY5RADORA2BKIT
SCHEMBL91001 0.68 USP30 (0.54) KMT2AUSP30
SCHEMBL90847 0.68 PARP14 (0.36)

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

“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.