SCHEMBL2789231

SCHEMBL2789231

CC(C)[C@H](NC(=O)O)C(=O)N1CCC[C@H]1C(=O)C=[N+]=[N-]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 2/20 0.43
▸ DPP8 Q6V1X1 1/20 0.43
▸ DPP9 Q86TI2 1/20 0.43
▸ ELANE P08246 4/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ ACE P12821 6/20 0.39
▸ REN P00797 4/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ F2 P00734 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ LTA4H P09960 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ PEPD P12955 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ PTGS1 P23219 1/20 0.39
▸ HTR2A P28223 1/20 0.39
▸ PTGS2 P35354 1/20 0.39
▸ HRH1 P35367 1/20 0.39
▸ THPO P40225 1/20 0.39

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
SCHEMBL3778456 0.79 DPP4 (0.49) DPP4DPP8DPP9ELANEACE
SCHEMBL1998949 0.77 DPP4 (0.41) DPP4DPP8DPP9ACEREN
SCHEMBL6123357 0.76 DPP4 (0.46) DPP4DPP8DPP9ELANEACE
SCHEMBL5643455 0.75 ALDH1A1 (0.36) ACEREN
SCHEMBL16464216 0.75 ALDH1A1 (0.36) ACEREN
SCHEMBL17527163 0.74 DPP4 (0.52) DPP4DPP8DPP9ELANEMEN1
SCHEMBL29973334 0.72 DPP4 (0.64) DPP4DPP8DPP9MEN1KMT2A
SCHEMBL17527125 0.71 ALDH1A1 (0.57) ELANE
SCHEMBL239406 0.70 ACE (0.52) DPP4DPP8DPP9MEN1KMT2A
SCHEMBL239407 0.70 ACE (0.52) DPP4DPP8DPP9MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2628481-B1 Trisubstituted heterocycles as replication inhibitors of hepatitis C virus HCV ABBVIE BAHAMAS LTD (BS) 2016-02-24 — — EP 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
EP-2853531-A2 Antiviral compounds AbbVie Bahamas Ltd. (BS) 2015-04-01 — — EP disclosed
EP-2455376-B1 Heterocyclic compounds as inhibitors of hepatitis C virus (HCV) ABBVIE BAHAMAS LTD (BS) 2014-11-26 — — EP disclosed
US-20140315792-A1 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES 2014-10-23 — — US disclosed
EP-2337781-B1 ANTI-VIRAL COMPOUNDS TO TREAT HCV INFECTION ABBVIE BAHAMAS LTD (BS) 2014-07-23 — — EP disclosed
EP-2368890-B9 Hepatitis C virus inhibitors ABBVIE BAHAMAS LTD (BS) 2013-10-30 — — EP disclosed
EP-2628481-A1 Trisubstituted heterocycles as replication inhibitors of hepatitis C virus HCV AbbVie Bahamas Ltd. (BS) 2013-08-21 — — EP disclosed
EP-2368890-B1 Hepatitis C virus inhibitors ABBVIE BAHAMAS LTD (BS) 2013-04-17 — — 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
WO-2010144646-A2 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2010-12-16 — — 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 (3 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 DPP4 159/4885DPP8 295/4885DPP9 483/4885
US-20140315792-A1 ANTI-VIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS DPP4 159/4885DPP8 295/4885DPP9 483/4885
US-20150218194-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS DPP4 159/4885DPP8 295/4885DPP9 483/4885

“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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