SCHEMBL20698993

SCHEMBL20698993

COc1cc(C(C)C)c(CC(=O)OC(C)(C)C)c(C(C)C)n1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 5/20 0.36
MTNR1B P49286 5/20 0.36
AR P10275 1/20 0.34
CYP1A2 P05177 1/20 0.33
STING1 Q86WV6 1/20 0.33
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
EDNRB P24530 1/20 0.31
EDNRA P25101 1/20 0.31
GLA P06280 1/20 0.30
LMNA P02545 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL23692311 0.82 MTNR1A (0.33) MTNR1AMTNR1BKDM4E
SCHEMBL20698991 0.82 KDM4E (0.39) CYP1A2ALDH1A1KDM4ELMNATDP1
SCHEMBL20681262 0.81 ALDH1A1 (0.35) ARCYP1A2ALDH1A1KDM4ELMNA
SCHEMBL30791041 0.81 ALDH1A1 (0.35) ARCYP1A2ALDH1A1KDM4ELMNA
SCHEMBL22014869 0.81 MTNR1A (0.33) MTNR1AMTNR1B
SCHEMBL25067026 0.80 ALDH1A1 (0.38) MTNR1AMTNR1BALDH1A1KDM4EGLA
SCHEMBL25139075 0.78 KDM4E (0.33) ALDH1A1KDM4ELMNATDP1
SCHEMBL19507082 0.74 GABRA1 (0.46) MTNR1AMTNR1B
SCHEMBL20681199 0.74 GABRA1 (0.46) MTNR1AMTNR1B
SCHEMBL19475243 0.74 MTNR1A (0.42) MTNR1AMTNR1B

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230079631-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-03-16 US disclosed
US-20230059136-A1 THE COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-02-23 US disclosed
US-11370763-B2 Compounds and compositions for treating conditions associated with NLRP activity NOVARTIS AG (CH) 2022-06-28 US disclosed
US-20210230129-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2021-07-29 US disclosed
WO-2020102574-A1 THE COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS INFLAMMASOME RESEARCH, INC. (US) 2020-05-22 WO disclosed
WO-2019023145-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY IFM Tre, Inc. (US) 2019-01-31 WO 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 (4 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-20230079631-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP1, NLRP3, NOD1 MTNR1A 1586/4885MTNR1B 2060/4885AR 3235/4885
US-20210230129-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP3, NLRP1, IAPP MTNR1A 2897/4885MTNR1B 2672/4885AR 1309/4885
US-20230059136-A1 THE COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP1, NLRP3, NOD1 MTNR1A 1531/4885MTNR1B 1933/4885AR 3249/4885
US-11370763-B2 Compounds and compositions for treating conditions associated with NLRP activity NLRP3, NLRP1, IAPP MTNR1A 2897/4885MTNR1B 2672/4885AR 1309/4885

“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.