SCHEMBL46731

SCHEMBL46731

C[Si](C)(C)CCOCn1cncc1[C@@H]1CCCN1C(=O)OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PREP P48147 5/20 0.44
AADAT Q8N5Z0 2/20 0.42
TMEM97 Q5BJF2 3/20 0.42
SIGMAR1 Q99720 3/20 0.42
ACE2 Q9BYF1 1/20 0.41
DGAT1 O75907 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL47238 0.82 PREP (0.45) PREPAADATTMEM97SIGMAR1ACE2
SCHEMBL13132687 0.82 AADAT (0.43) PREPAADATTMEM97SIGMAR1ACE2
SCHEMBL13132678 0.82 AADAT (0.42) PREPAADATTMEM97SIGMAR1ACE2
SCHEMBL10118256 0.81 PREP (0.45) PREPAADATTMEM97SIGMAR1ACE2
SCHEMBL27966153 0.78 KLK7 (0.43) PREPAADATTMEM97SIGMAR1
SCHEMBL13132674 0.77 DGAT1 (0.43) PREPAADATTMEM97SIGMAR1ACE2
SCHEMBL10117810 0.77 DGAT1 (0.43) PREPAADATTMEM97SIGMAR1ACE2
SCHEMBL10119560 0.77 AADAT (0.38) PREPAADATTMEM97SIGMAR1ACE2
SCHEMBL13132695 0.76 AADAT (0.40) PREPAADATTMEM97SIGMAR1ACE2
SCHEMBL10121210 0.73 DGAT1 (0.40) PREPAADATTMEM97SIGMAR1DGAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9254292-B2 Fused tetracycle derivatives and methods of use thereof for the treatment of viral diseases MERCK SHARP & DOHME CORP. (US) 2016-02-09 US disclosed
EP-2545060-B1 FUSED TRICYCLIC SILYL COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME (US) 2015-11-25 EP disclosed
US-8980920-B2 Antiviral compounds of three linked aryl moieties to treat diseases such as hepatitis C MERCK SHARP & DOHME CORP. (US) 2015-03-17 US disclosed
US-8980920-B2 Antiviral compounds of three linked aryl moieties to treat diseases such as hepatitis C MERCK SHARP & DOHME CORP. (US) 2015-03-17 US 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
US-20140170111-A1 FUSED TETRACYCLE DERIVATIVES AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES Merck Sharp & Dohmn Corp. (US) 2014-06-19 US disclosed
US-20140170111-A1 FUSED TETRACYCLE DERIVATIVES AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES Merck Sharp & Dohmn Corp. (US) 2014-06-19 US disclosed
US-20120258078-A1 ANTIVIRAL COMPOUNDS OF THREE LINKED ARYL MOIETIES TO TREAT DISEASES SUCH AS HEPATITIS C SCHERING CORPORATION (US) 2012-10-11 US disclosed
US-20120258078-A1 ANTIVIRAL COMPOUNDS OF THREE LINKED ARYL MOIETIES TO TREAT DISEASES SUCH AS HEPATITIS C SCHERING CORPORATION (US) 2012-10-11 US disclosed
WO-2012040923-A1 TETRACYCLIC INDOLE DERIVATIVES AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME CORP. (US) 2012-04-05 WO disclosed
WO-2012040924-A1 FUSED TETRACYCLIC HETEROCYCLE COMPOUNDS AND METHODS OF USE THEREOF FOR TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME CORP. (US) 2012-04-05 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-2012041227-A1 TETRACYCLIC HETEROCYCLE COMPOUNDS FOR TREATING HEPATITIS C VIRAL INFECTION MERCK SHARP & DOHME CORP. (US) 2012-04-05 WO disclosed
WO-2012003642-A1 FUSED TRICYCLIC COMPOUNDS AND USE THEREOF FOR TREATING VIRAL DISEASES MERCK SHARP & DOHME CORP. (US) 2012-01-12 WO disclosed
US-20110223134-A1 FUSED TRICYCLIC SILYL COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME LLC 2011-09-15 US disclosed
US-20110223134-A1 FUSED TRICYCLIC SILYL COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME LLC 2011-09-15 US disclosed
WO-2010138791-A1 ANTIVIRAL COMPOUNDS COMPOSED OF THREE LINKED ARYL MOIETIES TO TREAT DISEASES SUCH AS HEPATITIS C SCHERING CORPORATION (US) 2010-12-02 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 (3 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-20120258078-A1 ANTIVIRAL COMPOUNDS OF THREE LINKED ARYL MOIETIES TO TREAT DISEASES SUCH AS HEPATITIS C HAVCR2, ZC3HAV1, EIF2AK2 PREP 727/4885AADAT 825/4885TMEM97 2290/4885
US-20110223134-A1 FUSED TRICYCLIC SILYL COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES FOXM1, ZC3HAV1L, C1S PREP 1777/4885AADAT 3168/4885TMEM97 2807/4885
US-20140170111-A1 FUSED TETRACYCLE DERIVATIVES AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES HAVCR2, ZC3HAV1, ZC3HAV1L PREP 1899/4885AADAT 1602/4885TMEM97 1790/4885

“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.