SCHEMBL14765171

SCHEMBL14765171

CC(C)(C)OC(=O)n1c(OBOc2cc3c(F)cccc3n2C(=O)OC(C)(C)C)cc2c(F)cccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 10/20 0.39
SCN9A Q15858 3/20 0.38
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
NR1H3 Q13133 3/20 0.38
SCN5A Q14524 1/20 0.37
GABRG2 P18507 2/20 0.36
GABRB3 P28472 2/20 0.36
GABRA5 P31644 2/20 0.36
CCNB2 O95067 1/20 0.35
CDK1 P06493 1/20 0.35
CCNB1 P14635 1/20 0.35
GSK3B P49841 1/20 0.35
CCNB3 Q8WWL7 1/20 0.35
CA12 O43570 1/20 0.34
CA9 Q16790 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRA2 P47869 1/20 0.34

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
SCHEMBL16374691 0.81 NR1H2 (0.41) NR1H2SCN9ACHRM2CHRM4CHRM1
SCHEMBL2934486 0.79 NR1H2 (0.53) NR1H2NR1H3CA12CA9
SCHEMBL19013550 0.79 NR1H2 (0.42) NR1H2SCN9ACHRM2CHRM4CHRM1
SCHEMBL2873485 0.79 NR1H2 (0.40) NR1H2SCN9ACHRM2CHRM4CHRM1
SCHEMBL17220659 0.78 NR1H2 (0.55) NR1H2NR1H3
SCHEMBL19013035 0.78 CHRM2 (0.40) NR1H2SCN9ACHRM2CHRM4CHRM1
SCHEMBL19013509 0.78 NR1H2 (0.41) NR1H2SCN9ACHRM2CHRM4CHRM1
SCHEMBL2933363 0.76 NR1H2 (0.44) NR1H2NR1H3GABRG2GABRB3GABRA5
SCHEMBL5622566 0.75 L3MBTL1 (0.42) NR1H2CHRM2CHRM4CHRM1CHRM3
SCHEMBL20436873 0.72 NR1H2 (0.41) NR1H2CHRM2CHRM4CHRM1CHRM3

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
EP-2753618-B1 HETEROCYCLIC-SUBSTITUED BENZOFURAN DERIVATIVES AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME (US) 2018-04-11 EP disclosed
US-9549917-B2 Heterocyclic-substituted benzofuran derivatives and methods of use thereof for the treatment of viral diseases MERCK SHARP & DOHME CORP. (US) 2017-01-24 US disclosed
US-20140199263-A1 HETEROCYCLIC-SUBSTITUTED BENZOFURAN DERIVATIVES AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME LLC 2014-07-17 US disclosed
WO-2013034047-A1 HETEROCYCLIC-SUBSTITUED BENZOFURAN DERIVATIVES AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME CORP. (US) 2013-03-14 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 (1 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-20140199263-A1 HETEROCYCLIC-SUBSTITUTED BENZOFURAN DERIVATIVES AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES HCCS, GTF3C5, EIF5B NR1H2 1156/4885SCN9A 3823/4885CHRM2 4885/4885

“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.