SCHEMBL903826

SCHEMBL903826

Brc1cnc([C@@H]2CCCN2)[nH]1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.41
CHRNA7 P36544 2/20 0.41
CHRNA4 P43681 2/20 0.41
SCN10A Q9Y5Y9 1/20 0.38
CDC7 O00311 2/20 0.37
PIM1 P11309 2/20 0.37
CSNK2B P67870 2/20 0.37
CSNK2A1 P68400 2/20 0.37
MEN1 O00255 2/20 0.37
CYP2D6 P10635 2/20 0.37
CYP2C19 P33261 2/20 0.37
KMT2A Q03164 2/20 0.37
POLB P06746 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2A6 P11509 1/20 0.37
CYP2C9 P11712 1/20 0.37
PARP1 P09874 2/20 0.36
CHRM5 P08912 3/20 0.35
CHRM3 P20309 3/20 0.35

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
SCHEMBL15098648 1.00 CHRNB2 (0.41) CHRNB2CHRNA7CHRNA4SCN10ACDC7
Hydrochloric Acid SCHEMBL240506 0.98 CHRNB2 (0.40) CHRNB2CHRNA7CHRNA4SCN10ACDC7
Hydrochloric Acid SCHEMBL240507 0.98 CHRNB2 (0.40) CHRNB2CHRNA7CHRNA4SCN10ACDC7
SCHEMBL23247498 0.95 MEN1 (0.42) CHRNB2CHRNA7CHRNA4SCN10ACDC7
SCHEMBL1812334 0.79 CHRNB2 (0.41) CHRNB2CHRNA7CHRNA4SCN10AMEN1
SCHEMBL47075 0.79 CHRM2 (0.41) CHRNB2CHRNA7CHRNA4SCN10ACDC7
SCHEMBL18058878 0.79 CHRNB2 (0.41) CHRNB2CHRNA7CHRNA4SCN10ACDC7
SCHEMBL8751908 0.79 CHRNB2 (0.41) CHRNB2CHRNA7CHRNA4SCN10AMEN1
SCHEMBL13505409 0.79 CHRNB2 (0.41) CHRNB2CHRNA7CHRNA4SCN10AMEN1
SCHEMBL12672828 0.79 CHRM2 (0.41) CHRNB2CHRNA7CHRNA4SCN10ACDC7

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3445367-B1 HEPATITIS C VIRUS INHIBITORS MERCK SHARP & DOHME LLC (US) 2023-11-22 EP disclosed
EP-3699176-A2 ANTIVIRAL COMPOUNDS Gilead Pharmasset LLC (US) 2020-08-26 EP disclosed
EP-2945952-B1 HETEROCYCLE-SUBSTITUED TETRACYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME (US) 2019-08-28 EP disclosed
EP-3309157-A1 ANTIVIRAL COMPOUNDS Gilead Pharmasset LLC (US) 2018-04-18 EP disclosed
EP-3284741-A1 ANTIVIRAL COMPOUNDS Gilead Pharmasset LLC (US) 2018-02-21 EP disclosed
US-20170342085-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2017-11-30 US disclosed
US-9809600-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2017-11-07 US disclosed
EP-3239153-A1 9-(1H-IMIDAZOL-5-YL)-1,11-DIHYDROISOCHROMENO[4',3':6,7]NAPHTHO[1,2-D]IMIDAZOLE DERIVATIVES AND THEIR USE AS INHIBITORS OF HCV NS5A Gilead Pharmasset LLC (US) 2017-11-01 EP disclosed
WO-2017184476-A1 HEPATITIS C VIRUS INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-10-26 WO disclosed
WO-2017181383-A1 HEPATITIS C VIRUS INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-10-26 WO disclosed
EP-2907816-A1 Condensed imidazolylimidazoles as antiviral compounds Gilead Pharmasset LLC (US) 2015-08-19 EP disclosed
WO-2014110705-A9 HETEROCYCLE-SUBSTITUTED TETRACYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME CORP. (US) 2015-03-05 WO disclosed
EP-2435424-B1 ANTIVIRAL COMPOUNDS COMPOSED OF THREE LINKED ARYL MOIETIES TO TREAT DISEASES SUCH AS HEPATITIS C MERCK SHARP & DOHME (US) 2015-01-21 EP disclosed
WO-2014110687-A1 THIAZOLYL-SUBSTITUED TETRACYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME CORP. (US) 2014-07-24 WO disclosed
WO-2014110705-A1 HETEROCYCLE-SUBSTITUED TETRACYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME CORP. (US) 2014-07-24 WO disclosed
WO-2014110706-A1 THIOPHENE-SUBSTITUTED TETRACYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME CORP. (US) 2014-07-24 WO disclosed
WO-2014110688-A1 THIOPHENE- SUB STITUED TETRACYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME CORP. (US) 2014-07-24 WO disclosed
WO-2013075029-A1 CONDENSED IMIDAZOLYLIMIDAZOLES AS ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-05-23 WO disclosed
WO-2012041014-A1 TETRACYCLIC INDOLE DERIVATIVES FOR TREATING HEPATITIS C VIRUS INFECTION MERCK SHARP & DOHME CORP. (US) 2012-04-05 WO disclosed
WO-2010111483-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION MERCK SHARP & DOHME CORP. (US) 2010-09-30 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-20170342085-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, SARS1 CHRNB2 4874/4885CHRNA7 4847/4885CHRNA4 4869/4885

“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.