SCHEMBL5995965

SCHEMBL5995965

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

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ELANE P08246 3/20 0.46
KCNH2 Q12809 1/20 0.44
NR1I2 O75469 1/20 0.43
CYP3A4 P08684 5/20 0.42
CYP2C9 P11712 4/20 0.42
CYP2C19 P33261 3/20 0.42
XIAP P98170 2/20 0.42
CYP1A2 P05177 2/20 0.41
CYP2D6 P10635 1/20 0.41
BIRC3 Q13489 1/20 0.41
BIRC2 Q13490 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
SCHEMBL12403760 1.00 ELANE (0.46) ELANEKCNH2NR1I2CYP3A4CYP2C9
SCHEMBL5991866 0.91 KCNH2 (0.43) ELANEKCNH2NR1I2CYP3A4CYP2C9
SCHEMBL806061 0.90 ELANE (0.45) ELANEXIAPBIRC3BIRC2
SCHEMBL10282208 0.90 KCNH2 (0.43) ELANEKCNH2NR1I2CYP3A4CYP2C9
SCHEMBL10299168 0.90 ELANE (0.51) ELANEKCNH2NR1I2CYP3A4CYP2C9
SCHEMBL13014699 0.90 ELANE (0.51) ELANEKCNH2NR1I2CYP3A4CYP2C9
SCHEMBL12676948 0.88 ELANE (0.43) ELANEXIAPBIRC3BIRC2
SCHEMBL12335712 0.87 ACE (0.48) ELANECYP2C19
SCHEMBL5992865 0.87 ELANE (0.45) ELANECYP3A4CYP2C9CYP2C19XIAP
SCHEMBL9972545 0.87 ELANE (0.48) ELANECYP3A4CYP2C9CYP2C19XIAP

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 15 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
US-20120172290-A1 Anti-Viral Compounds ABBOTT LABORATORIES (US) 2012-07-05 US disclosed
WO-2012083170-A1 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2012-06-21 WO disclosed
WO-2012083164-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-2010144646-A2 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2010-12-16 WO disclosed
WO-2010120935-A1 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2010-10-21 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 (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 ELANE 986/4885KCNH2 4523/4885NR1I2 2411/4885
US-20120115918-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS ELANE 986/4885KCNH2 4523/4885NR1I2 2411/4885
US-20140315792-A1 ANTI-VIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS ELANE 986/4885KCNH2 4523/4885NR1I2 2411/4885
US-20140155382-A1 ANTI-VIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS ELANE 986/4885KCNH2 4523/4885NR1I2 2411/4885
US-20150218194-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS ELANE 986/4885KCNH2 4523/4885NR1I2 2411/4885
US-20120172290-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS ELANE 986/4885KCNH2 4523/4885NR1I2 2411/4885

“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.