SCHEMBL8520532

SCHEMBL8520532

CNC(=O)C1CCCN1C(=O)C(NC(=O)OC)C1CCOC1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.41
CYP3A4 P08684 5/20 0.38
CYP2C9 P11712 5/20 0.38
CYP2C19 P33261 5/20 0.38
CYP2D6 P10635 2/20 0.38
CYP1A2 P05177 2/20 0.38
MMP1 P03956 3/20 0.37
MMP13 P45452 3/20 0.37
ADAM17 P78536 3/20 0.37
MMP3 P08254 2/20 0.37
ELANE P08246 2/20 0.36
PEPD P12955 3/20 0.34
XPNPEP1 Q9NQW7 2/20 0.34
FKBP1A P62942 1/20 0.33
FKBP5 Q13451 1/20 0.33
CNR2 P34972 1/20 0.33

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
SCHEMBL13014741 0.91 KCNH2 (0.41) KCNH2CYP3A4CYP2C9CYP2C19CYP2D6
SCHEMBL17527162 0.84 KCNH2 (0.60) KCNH2CYP3A4CYP2C9CYP2C19CYP2D6
SCHEMBL15765648 0.83 KCNK3 (0.34) KCNH2CYP3A4CYP2C9
SCHEMBL13014810 0.81 KCNK3 (0.35) KCNH2CYP3A4CYP2C9CNR2
SCHEMBL12977837 0.81 DPP4 (0.39) MMP1MMP13ADAM17MMP3PEPD
SCHEMBL10282485 0.81 L3MBTL1 (0.37)
SCHEMBL3269632 0.76 ELANE (0.44) KCNH2CYP3A4CYP2C9CYP2C19CYP2D6
SCHEMBL3268486 0.76 ELANE (0.44) KCNH2CYP3A4CYP2C9CYP2C19CYP2D6
SCHEMBL18653184 0.76 MMP13 (0.36) MMP1MMP13MMP3
SCHEMBL5992849 0.76 ELANE (0.52) KCNH2CYP3A4CYP2C9ELANE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9394279-B2 Anti-viral compounds ABBVIE INC. (US) 2016-07-19 US disclosed
US-9278922-B2 Anti-viral compounds ABBVIE INC. (US) 2016-03-08 US disclosed
US-20150218194-A1 Anti-Viral Compounds ABBVIE INC. (US) 2015-08-06 US disclosed
US-9006387-B2 Anti-viral compounds ABBVIE INC. (US) 2015-04-14 US disclosed
US-20140315792-A1 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES 2014-10-23 US disclosed
US-20140155382-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. (US) 2014-06-05 US disclosed
EP-2628481-A1 Trisubstituted heterocycles as replication inhibitors of hepatitis C virus HCV AbbVie Bahamas Ltd. (BS) 2013-08-21 EP disclosed
WO-2012083164-A1 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2012-06-21 WO disclosed
WO-2012083170-A1 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2012-06-21 WO disclosed
EP-2455376-A1 Heterocyclic compounds as inhibitors of hepatitis C virus (HCV) Abbott Laboratories (US) 2012-05-23 EP disclosed
US-20120115918-A1 Anti-Viral Compounds ABBOTT LABORATORIES (US) 2012-05-10 US disclosed
US-20100317568-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2010-12-16 US disclosed
WO-2010120935-A1 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2010-10-21 WO disclosed
US-20100267634-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2010-10-21 US 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 (6 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-20100317568-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS KCNH2 4523/4885CYP3A4 1792/4885CYP2C9 3780/4885
US-20100267634-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS KCNH2 4523/4885CYP3A4 1792/4885CYP2C9 3780/4885
US-20120115918-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS KCNH2 4523/4885CYP3A4 1792/4885CYP2C9 3780/4885
US-20140315792-A1 ANTI-VIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS KCNH2 4523/4885CYP3A4 1792/4885CYP2C9 3780/4885
US-20140155382-A1 ANTI-VIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS KCNH2 4523/4885CYP3A4 1792/4885CYP2C9 3780/4885
US-20150218194-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS KCNH2 4523/4885CYP3A4 1792/4885CYP2C9 3780/4885

“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.