SCHEMBL5992849

SCHEMBL5992849

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

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ELANE P08246 10/20 0.52
CYP3A4 P08684 3/20 0.47
CYP2C9 P11712 2/20 0.47
KCNH2 Q12809 2/20 0.47
NR1I2 O75469 1/20 0.47
ABCB11 O95342 1/20 0.47
OPRK1 P41145 1/20 0.47
DPP4 P27487 2/20 0.46
DPP8 Q6V1X1 1/20 0.46
DPP9 Q86TI2 1/20 0.46
XIAP P98170 1/20 0.43
MLX Q9UH92 1/20 0.43

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
SCHEMBL3265287 1.00 ELANE (0.52) ELANECYP3A4CYP2C9KCNH2NR1I2
SCHEMBL10299169 0.91 ELANE (0.51) ELANECYP3A4CYP2C9KCNH2NR1I2
SCHEMBL13014698 0.91 ELANE (0.51) ELANECYP3A4CYP2C9KCNH2NR1I2
SCHEMBL3268486 0.90 ELANE (0.44) ELANECYP3A4CYP2C9KCNH2NR1I2
SCHEMBL3269632 0.90 ELANE (0.44) ELANECYP3A4CYP2C9KCNH2NR1I2
SCHEMBL24441416 0.88 CMA1 (0.54) ELANE
SCHEMBL12404590 0.88 XIAP (0.49) ELANECYP3A4CYP2C9KCNH2XIAP
SCHEMBL3265303 0.88 XIAP (0.49) ELANECYP3A4CYP2C9KCNH2XIAP
SCHEMBL23969592 0.87 ELANE (0.53) ELANEXIAP
SCHEMBL242197 0.86 ACE (0.52) 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 17 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-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
EP-2368890-A1 Hepatitis C virus inhibitors Abbott Laboratories (US) 2011-09-28 EP 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
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 (7 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 986/4885CYP3A4 1792/4885CYP2C9 3780/4885
US-20100267634-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS ELANE 986/4885CYP3A4 1792/4885CYP2C9 3780/4885
US-20120115918-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS ELANE 986/4885CYP3A4 1792/4885CYP2C9 3780/4885
US-20140315792-A1 ANTI-VIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS ELANE 986/4885CYP3A4 1792/4885CYP2C9 3780/4885
US-20140155382-A1 ANTI-VIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS ELANE 986/4885CYP3A4 1792/4885CYP2C9 3780/4885
US-20150218194-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS ELANE 986/4885CYP3A4 1792/4885CYP2C9 3780/4885
US-20120172290-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS ELANE 986/4885CYP3A4 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.