SCHEMBL4232286

SCHEMBL4232286

CC(C)(C)OC(=O)N1Cc2ccc(C(N)=O)cc2C1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.56
ESR2 Q92731 1/20 0.54
HDAC1 Q13547 1/20 0.54
GPR119 Q8TDV5 2/20 0.50
DDB1 Q16531 1/20 0.50
CRBN Q96SW2 1/20 0.50
HDAC8 Q9BY41 2/20 0.48
HDAC6 Q9UBN7 2/20 0.48
PARP14 Q460N5 1/20 0.46
NAMPT P43490 5/20 0.46
HSD17B3 P37058 1/20 0.44
MAPK1 P28482 1/20 0.44
PIK3CA P42336 1/20 0.44
MTOR P42345 1/20 0.44
ROCK2 O75116 1/20 0.42
CHEK2 O96017 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL14063061 0.89 ESR2 (0.70) NR1H2ESR2HDAC1GPR119DDB1
SCHEMBL9257641 0.89 NR1H2 (0.73) NR1H2ESR2HDAC1GPR119DDB1
SCHEMBL8280135 0.87 ESR2 (0.56) NR1H2ESR2HDAC1GPR119DDB1
SCHEMBL29835137 0.87 ESR2 (0.56) NR1H2ESR2HDAC1GPR119DDB1
SCHEMBL1650164 0.87 ESR2 (0.56) NR1H2ESR2HDAC1DDB1CRBN
SCHEMBL24038851 0.86 HDAC1 (0.55) NR1H2ESR2HDAC1DDB1CRBN
SCHEMBL30090221 0.86 HDAC1 (0.55) NR1H2ESR2HDAC1DDB1CRBN
SCHEMBL20571231 0.84 ESR2 (0.53) NR1H2ESR2HDAC1GPR119DDB1
SCHEMBL30091911 0.84 HDAC1 (0.56) NR1H2ESR2HDAC1DDB1CRBN
SCHEMBL329653 0.84 HDAC1 (0.56) NR1H2ESR2HDAC1DDB1CRBN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024199421-A1 CYP11A1 INHIBITOR 山东轩竹医药科技有限公司 2024-10-03 WO disclosed
WO-2021218755-A1 SHP2 INHIBITOR, AND COMPOSITION AND USE THEREOF 贝达药业股份有限公司 (CN) 2021-11-04 WO disclosed
CN-107849047-B Biphenyl derivative, preparation method and medical application thereof 四川海思科制药有限公司 2021-01-15 CN disclosed
CN-107849047-A Biphenyl derivative, preparation method and medical application thereof 四川海思科制药有限公司 2018-03-27 CN disclosed
US-20090042862-A1 NOVEL COMPOUNDS BEST DESMOND JOHN 2009-02-12 US disclosed
US-7446103-B2 Bicyclic benzamide compound as histamine H3 receptor ligand useful in the treatment of neurological diseases GLAXO GROUP LIMITED (GB) 2008-11-04 US disclosed
US-20070105838-A1 Bicyclic Benzamide Compoundssa as Histamine H3 Receptor Ligand Useful in the Treatment of Neurological Diseases GLAXO GROUP LIMITED (GB) 2007-05-10 US disclosed
EP-1554243-B1 BICYCLIC BENZAMIDE COMPOUNDS AS HISTAMINE H3 RECEPTOR LIGAND USEFUL IN THE TREATMENT OF NEUROLOGICAL DISEASES GLAXO GROUP LTD (GB) 2006-11-22 EP disclosed
EP-1554243-A1 BICYCLIC BENZAMIDE COMPOUNDS AS HISTAMINE H3 RECEPTOR LIGAND USEFUL IN THE TREATMENT OF NEUROLOGICAL DISEASES GLAXO GROUP LIMITED (GB) 2005-07-20 EP disclosed
WO-2004037788-A1 BICYCLIC BENZAMIDE COMPOUNDS AS HISTAMINE H3 RECEPTOR LIGAND USEFUL IN THE TREATMENT OF NEUROLOGICAL DISEASES GLAXO GROUP LIMITED (GB) 2004-05-06 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 (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-20070105838-A1 Bicyclic Benzamide Compoundssa as Histamine H3 Receptor Ligand Useful in the Treatment of Neurological Diseases HRH3, HRH4, HRH1 NR1H2 992/4885ESR2 1745/4885HDAC1 79/4885
US-20090042862-A1 NOVEL COMPOUNDS GRIN2C, GRIN2A, GRIN2B NR1H2 2353/4885ESR2 2404/4885HDAC1 89/4885

“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.