SCHEMBL2380729

SCHEMBL2380729

CC1=C[C@@H](c2ncc(-c3ccc(-c4ccc(-c5cnc([C@@H]6CCCN6C(=O)OC(C)(C)C)[nH]5)cc4)cc3)[nH]2)N(C(=O)OC(C)(C)C)C1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.51
CYP2C9 P11712 3/20 0.51
KCNH2 Q12809 2/20 0.51
NR1I2 O75469 1/20 0.51
ABCB11 O95342 1/20 0.51
OPRK1 P41145 1/20 0.51
PRCP P42785 10/20 0.49
CYP1A2 P05177 2/20 0.47
CYP2D6 P10635 1/20 0.47
HPGDS O60760 3/20 0.46
HCRTR1 O43613 1/20 0.44
HCRTR2 O43614 1/20 0.44

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
SCHEMBL2380733 1.00 CYP3A4 (0.51) CYP3A4CYP2C9KCNH2NR1I2ABCB11
SCHEMBL2380735 1.00 CYP3A4 (0.51) CYP3A4CYP2C9KCNH2NR1I2ABCB11
SCHEMBL2865541 0.96 PRCP (0.49) CYP3A4CYP2C9KCNH2NR1I2ABCB11
SCHEMBL15388455 0.94 PRCP (0.46) CYP3A4CYP2C9KCNH2NR1I2ABCB11
SCHEMBL15388457 0.94 PRCP (0.46) CYP3A4CYP2C9KCNH2NR1I2ABCB11
SCHEMBL14857235 0.94 PRCP (0.46) CYP3A4CYP2C9KCNH2NR1I2ABCB11
SCHEMBL14857232 0.94 PRCP (0.46) CYP3A4CYP2C9KCNH2NR1I2ABCB11
SCHEMBL15388458 0.94 PRCP (0.46) CYP3A4CYP2C9KCNH2NR1I2ABCB11
SCHEMBL14857233 0.94 PRCP (0.46) CYP3A4CYP2C9KCNH2NR1I2ABCB11
SCHEMBL15388206 0.94 CYP3A4 (0.46) CYP3A4CYP2C9KCNH2NR1I2ABCB11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8729077-B2 Anti-viral compounds, compositions, and methods of use GLAXOSMITHKLINE LLC (US) 2014-05-20 US disclosed
US-8729077-B2 Anti-viral compounds, compositions, and methods of use GLAXOSMITHKLINE LLC (US) 2014-05-20 US disclosed
US-20110224211-A1 Anti-Viral Compounds, Compositions, And Methods Of Use GLAXOSMITHKLINE LLC 2011-09-15 US disclosed
US-20110224211-A1 Anti-Viral Compounds, Compositions, And Methods Of Use GLAXOSMITHKLINE LLC 2011-09-15 US disclosed
WO-2010062821-A1 ANTI-VIRAL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE GLAXOSMITHKLINE LLC (US) 2010-06-03 WO disclosed
WO-2010062821-A1 ANTI-VIRAL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE GLAXOSMITHKLINE LLC (US) 2010-06-03 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-20110224211-A1 Anti-Viral Compounds, Compositions, And Methods Of Use HAVCR2, SARS1, MAVS CYP3A4 1529/4885CYP2C9 3460/4885KCNH2 3830/4885

“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.