SCHEMBL1173897

SCHEMBL1173897

O=C(O)C=Cc1ccc(NC(=O)C2(NC(=O)c3ccc4c(C5CCCCC5)c(-c5ccoc5)n(CC(=O)N5CCOCC5)c4c3)CCC2)cc1

nearest known ligand 0.73

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 17/20 0.73
CYP2C19 P33261 15/20 0.73
CYP2C9 P11712 6/20 0.57
CYP1A2 P05177 3/20 0.57
CYP2D6 P10635 4/20 0.56
SCN9A Q15858 1/20 0.43
KCNH2 Q12809 1/20 0.41

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
SCHEMBL1173894 1.00 CYP3A4 (0.73) CYP3A4CYP2C19CYP2C9CYP1A2CYP2D6
SCHEMBL3077778 0.87 CYP3A4 (0.76) CYP3A4CYP2C19CYP2C9CYP1A2CYP2D6
SCHEMBL3077775 0.87 CYP3A4 (0.76) CYP3A4CYP2C19CYP2C9CYP1A2CYP2D6
SCHEMBL3064813 0.87 CYP3A4 (0.59) CYP3A4CYP2C19CYP2C9CYP1A2CYP2D6
SCHEMBL3064808 0.87 CYP3A4 (0.59) CYP3A4CYP2C19CYP2C9CYP1A2CYP2D6
SCHEMBL2901546 0.86 CYP3A4 (0.64) CYP3A4CYP2C19CYP2C9CYP1A2CYP2D6
SCHEMBL2908700 0.86 CYP3A4 (0.64) CYP3A4CYP2C19CYP2C9CYP1A2CYP2D6
SCHEMBL2901545 0.85 CYP3A4 (0.67) CYP3A4CYP2C19CYP2C9CYP1A2CYP2D6
SCHEMBL2901540 0.85 CYP3A4 (0.67) CYP3A4CYP2C19CYP2C9CYP1A2CYP2D6
SCHEMBL2908695 0.85 CYP3A4 (0.63) CYP3A4CYP2C19CYP2C9CYP1A2CYP2D6

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 5 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-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
EP-1587787-A1 VIRAL POLYMERASE INHIBITORS Boehringer Ingelheim International GmbH (DE) 2005-10-26 EP disclosed
WO-2004065367-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 (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-20070142380-A1 Viral Polymerase Inhibitors POLM, POLR2H, POLR2A CYP3A4 932/4885CYP2C19 2217/4885CYP2C9 1380/4885

“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.