SCHEMBL3745604

SCHEMBL3745604

COC(=O)c1ccc2c(C3CCCCC3)c(-c3ccoc3)[nH]c2c1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.38
NR4A2 P43354 3/20 0.36
PDK2 Q15119 1/20 0.33
PDK4 Q16654 1/20 0.33
TUBB4A P04350 1/20 0.32
TUBB P07437 1/20 0.32
TUBA3C P0DPH7 1/20 0.32
TUBA1B P68363 1/20 0.32
TUBA4A P68366 1/20 0.32
TUBB4B P68371 1/20 0.32
TUBB3 Q13509 1/20 0.32
TUBB2A Q13885 1/20 0.32
TUBB8 Q3ZCM7 1/20 0.32
TUBA3E Q6PEY2 1/20 0.32
TUBA1A Q71U36 1/20 0.32
TUBA1C Q9BQE3 1/20 0.32
TUBB6 Q9BUF5 1/20 0.32
TUBB2B Q9BVA1 1/20 0.32
TUBB1 Q9H4B7 1/20 0.32
CYP3A4 P08684 1/20 0.32

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
SCHEMBL1173880 0.79 PARP1 (0.46) SCN9ATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL5198009 0.79 PDK2 (0.37) NR4A2PDK2PDK4PTGER4RIPK1
SCHEMBL12377184 0.74 TUBB4A (0.39) NR4A2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL1174317 0.74 SCN9A (0.44) SCN9ANR4A2CYP3A4CYP2D6CYP2C9
SCHEMBL12377145 0.73 HTR2A (0.40) HTR2A
SCHEMBL2288741 0.73 CNR1 (0.37) NR4A2CYP2D6CYP2C9CYP2C19GSK3A
SCHEMBL12377187 0.72 SLC6A3 (0.36) NR4A2RIPK1HTR2A
SCHEMBL12869673 0.71 SCN9A (0.39) SCN9ANR4A2CYP3A4CYP2D6CYP2C9
SCHEMBL6387931 0.70 HTR2A (0.44) SCN9ATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL11566905 0.68 KDM4E (0.50) CYP2D6CYP2C9CYP2C19RIPK1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7888363-B2 1-Cyclopentyl-3-methyl-2-(2-pyridyl)indole-5-amino/thio/carbonyl derivatives; hepatitis C virus infection; synergistic with another inhibitor of HCV polymerase or immunomodulatory agent such as interferons BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-02-15 US disclosed
US-7888363-B2 1-Cyclopentyl-3-methyl-2-(2-pyridyl)indole-5-amino/thio/carbonyl derivatives; hepatitis C virus infection; synergistic with another inhibitor of HCV polymerase or immunomodulatory agent such as interferons BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-02-15 US disclosed
US-7838537-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-11-23 US disclosed
US-7838537-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-11-23 US disclosed
US-7838537-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-11-23 US disclosed
EP-1587585-B1 ACYLSULFONAMIDE COMPOUNDS AS INHIBITORS OF RNA-DEPENDENT RNA (VIRAL) POLYMERASES BOEHRINGER INGELHEIM INT (DE) 2008-10-15 EP disclosed
US-20080119490-A1 Viral Polymerase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-05-22 US disclosed
US-20080119490-A1 Viral Polymerase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-05-22 US disclosed
US-20080119490-A1 Viral Polymerase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-05-22 US disclosed
US-7323470-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-01-29 US disclosed
US-7323470-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-01-29 US disclosed
US-20070142380-A1 Viral Polymerase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-06-21 US disclosed
US-20070142380-A1 Viral Polymerase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-06-21 US disclosed
US-7223785-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-05-29 US disclosed
US-7223785-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-05-29 US disclosed
US-7098231-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-08-29 US disclosed
US-20060189672-A1 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-08-24 US disclosed
EP-1587585-A1 ACYLSULFONAMIDE COMPOUNDS AS INHIBITORS OF RNA-DEPENDENT RNA (VIRAL) POLYMERASES Boehringer Ingelheim International GmbH (DE) 2005-10-26 EP disclosed
US-20040186125-A1 E.g , 3-cyclohexyl-2-furan-3-yl-1Hindole-5-carboxylic acid; hepatitis C viricides that target RNA dependent RNA polymerases (Ns5B) in mammals, an enzyme essential to viral replication; used in conjunction with an mmunomodulatory agent, such as beta -, delta - gamma -, and omega -interferon BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2004-09-23 US disclosed
WO-2004064925-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2004-08-05 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 (4 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-20060189672-A1 Viral polymerase inhibitors POLM, POLR2A, POLR2H SCN9A 1363/4885NR4A2 2671/4885PDK2 3114/4885
US-20070142380-A1 Viral Polymerase Inhibitors POLM, POLR2H, POLR2A SCN9A 837/4885NR4A2 3550/4885PDK2 3704/4885
US-20080119490-A1 Viral Polymerase Inhibitors POLM, POLR2H, POLR2A SCN9A 1217/4885NR4A2 2704/4885PDK2 3236/4885
US-20040186125-A1 E.g , 3-cyclohexyl-2-furan-3-yl-1Hindole-5-carboxylic acid; hepatitis C viricides that target RNA dependent RNA polymerases (Ns5B) in mammals, an enzyme essential to viral replication; used in conjunction with an mmunomodulatory agent, such as beta -, delta - gamma -, and omega -interferon IFNAR1, IFNG, EIF2AK2 SCN9A 2239/4885NR4A2 2322/4885PDK2 4443/4885

“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.