SCHEMBL4245809

SCHEMBL4245809

O=C1c2ccccc2C(=O)N1CCC1CCCCC1

nearest known ligand 0.71

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.71
HTR1A P08908 1/20 0.54
HTR7 P34969 1/20 0.54
HRH1 P35367 1/20 0.54
DRD3 P35462 1/20 0.54
HTR2B P41595 1/20 0.54
HPGD P15428 3/20 0.50
ALDH1A1 P00352 1/20 0.49
GAA P10253 1/20 0.49
KMT2A Q03164 1/20 0.49
HSD17B10 Q99714 1/20 0.49
GLS O94925 1/20 0.49

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
SCHEMBL7407102 0.91 ACHE (0.78) ACHEHTR1AHTR7HRH1DRD3
SCHEMBL21609732 0.90 ACHE (0.59) ACHEHTR1AHTR7HRH1DRD3
SCHEMBL21609729 0.90 ACHE (0.59) ACHEHTR1AHTR7HRH1DRD3
SCHEMBL17117470 0.90 ACHE (0.59) ACHEHTR1AHTR7HRH1DRD3
SCHEMBL29671486 0.89 ACHE (0.58) ACHEHTR1AHTR7HRH1DRD3
SCHEMBL28702049 0.89 ACHE (0.58) ACHEHTR1AHTR7HRH1DRD3
SCHEMBL14450985 0.89 ACHE (0.57) ACHEHTR1AHTR7HRH1DRD3
SCHEMBL29263737 0.87 HPGD (0.59) ACHEHTR1AHTR7HRH1DRD3
Methyl Alcohol SCHEMBL28751304 0.86 ACHE (0.77) ACHEGLS
SCHEMBL6789650 0.85 ACHE (0.69) ACHEHTR1AHTR7HRH1DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11814366-B2 Antiviral compounds and use thereof UNIVERSITA DEGLI STUDI DI SIENA (IT) 2023-11-14 US disclosed
US-11814366-B2 Antiviral compounds and use thereof UNIVERSITA DEGLI STUDI DI SIENA (IT) 2023-11-14 US disclosed
US-11814366-B2 Antiviral compounds and use thereof UNIVERSITA DEGLI STUDI DI SIENA (IT) 2023-11-14 US disclosed
EP-3765454-B1 ANTIVIRAL COMPOUNDS AND USE THEREOF UNIV DEGLI STUDI DI SIENA (IT) 2023-11-08 EP disclosed
US-11773078-B2 Furin inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2023-10-03 US disclosed
US-20210070737-A1 ANTIVIRAL COMPOUNDS AND USE THEREOF UNIVERSITA DEGLE STUDI DI SIENA (IT) 2021-03-11 US disclosed
US-20210070737-A1 ANTIVIRAL COMPOUNDS AND USE THEREOF UNIVERSITA DEGLE STUDI DI SIENA (IT) 2021-03-11 US disclosed
EP-3765454-A1 ANTIVIRAL COMPOUNDS AND USE THEREOF Universita' Degli Studi di Siena (IT) 2021-01-20 EP disclosed
WO-2019175436-A1 ANTIVIRAL COMPOUNDS AND USE THEREOF UNIVERSITÀ DEGLI STUDI DI SIENA (IT) 2019-09-19 WO disclosed
WO-2019175436-A1 ANTIVIRAL COMPOUNDS AND USE THEREOF UNIVERSITÀ DEGLI STUDI DI SIENA (IT) 2019-09-19 WO disclosed
US-20090048252-A1 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION 2009-02-19 US disclosed
EP-1993536-A2 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS SmithKline Beecham Corporation (US) 2008-11-26 EP disclosed
US-20070249599-A1 Novel Chemical Compounds DUFFY KEVIN J 2007-10-25 US disclosed
WO-2007103755-A2 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2007-09-13 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 (5 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-11814366-B2 Antiviral compounds and use thereof MAVS, EIF2AK2, SARS1 ACHE 2266/4885HTR1A 4367/4885HTR7 4000/4885
US-20070249599-A1 Novel Chemical Compounds HIPK3, HIPK1, HIPK4 ACHE 4530/4885HTR1A 4211/4885HTR7 3993/4885
US-20090048252-A1 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS PIK3CA, BTK, PI4KA ACHE 1064/4885HTR1A 2502/4885HTR7 1993/4885
US-11773078-B2 Furin inhibitors FURIN, TGFB1, PCSK7 ACHE 2876/4885HTR1A 4764/4885HTR7 4520/4885
US-20210070737-A1 ANTIVIRAL COMPOUNDS AND USE THEREOF MAVS, EIF2AK2, SARS1 ACHE 2266/4885HTR1A 4367/4885HTR7 4000/4885

“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.