SCHEMBL91019

SCHEMBL91019

C[C@@H]1CN(c2nccc3[nH]c([C@H]4CC[C@H](NS(=O)(=O)C(C)(C)C)CC4)cc23)C[C@H](C)O1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 2/20 0.35
CHUK O15111 2/20 0.35
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
MDM2 Q00987 1/20 0.35
DRD2 P14416 7/20 0.35
HTR2A P28223 7/20 0.35
DRD3 P35462 7/20 0.35
FFAR2 O15552 4/20 0.34
MAPK1 P28482 2/20 0.33
CHEK1 O14757 1/20 0.33
ATR Q13535 1/20 0.33
PDCD1 Q15116 1/20 0.33
ATRIP Q8WXE1 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
NPY5R Q15761 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL8576076 0.81 USP30 (0.33) KDM4EALDH1A1HPGDFFAR2NPY5R
SCHEMBL91025 0.80 IKBKB (0.39) IKBKBCHUKNPY5RTDP1
SCHEMBL90964 0.79 KDM4E (0.35) KMT2AKDM4EALDH1A1HPGDFFAR2
SCHEMBL90907 0.75 NPY5R (0.38) IKBKBCHUKDRD2NPY5R
SCHEMBL8554397 0.72 DAO (0.36) IKBKBCHUKALDH1A1NPY5R
SCHEMBL8547161 0.72 IKBKB (0.44) IKBKBCHUKCHEK1ATRPDCD1
SCHEMBL8526567 0.72 PDK2 (0.41) IKBKBCHUKNPY5R
SCHEMBL8576066 0.69 IKBKB (0.35) IKBKBCHUKCHEK1ATRPDCD1
SCHEMBL90849 0.69 BRD4 (0.37) ALDH1A1HPGD
SCHEMBL8577264 0.69 NPY5R (0.34) IKBKBCHUKNPY5R

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 IKBKB 2117/4885CHUK 754/4885KMT2A 2284/4885
US-20110028468-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R IKBKB 2117/4885CHUK 754/4885KMT2A 2284/4885

“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.