SCHEMBL8520518

SCHEMBL8520518

CNC(=O)C1CCCN1C(=O)C(Nc1ncccn1)C(C)C

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 10/20 0.44
▸ XIAP P98170 1/20 0.42
▸ MLX Q9UH92 1/20 0.42
▸ DPP4 P27487 1/20 0.40
▸ PREP P48147 2/20 0.40
▸ TAAR1 Q96RJ0 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ MMP1 P03956 1/20 0.38
▸ MMP3 P08254 1/20 0.38
▸ MMP13 P45452 1/20 0.38
▸ ADAM17 P78536 1/20 0.38

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
SCHEMBL13014716 0.91 ELANE (0.47) ELANEXIAPMLXPREPTAAR1
SCHEMBL8205696 0.88 MEN1 (0.47) —
SCHEMBL15765656 0.83 PREP (0.42) DPP4PREPHTT
SCHEMBL13014790 0.81 PREP (0.41) ELANEDPP4PREP
SCHEMBL13062430 0.80 MAPT (0.41) DPP4PREP
SCHEMBL8205698 0.75 MEN1 (0.48) ELANE
SCHEMBL5992790 0.74 CMA1 (0.44) ELANEXIAPMLXDPP4TAAR1
SCHEMBL5992849 0.74 ELANE (0.52) ELANEXIAPMLXDPP4
SCHEMBL3265287 0.74 ELANE (0.52) ELANEXIAPMLXDPP4
SCHEMBL13393685 0.74 XIAP (0.52) ELANEXIAPMLXDPP4TAAR1

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 9 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
EP-2455376-A1 Heterocyclic compounds as inhibitors of hepatitis C virus (HCV) Abbott Laboratories (US) 2012-05-23 — — EP disclosed
US-20100317568-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2010-12-16 — — 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 (4 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 986/4885XIAP 196/4885MLX 2558/4885
US-20140315792-A1 ANTI-VIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS ELANE 986/4885XIAP 196/4885MLX 2558/4885
US-20140155382-A1 ANTI-VIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS ELANE 986/4885XIAP 196/4885MLX 2558/4885
US-20150218194-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS ELANE 986/4885XIAP 196/4885MLX 2558/4885

“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.

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