SCHEMBL5994789

SCHEMBL5994789

CNC(=O)C1CCCN1C(=O)C(c1ccccc1)N1CCCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.49
TSHR P16473 1/20 0.49
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 1/20 0.49
KMT2A Q03164 1/20 0.49
GAA P10253 1/20 0.48
KCNH2 Q12809 1/20 0.47
MMP1 P03956 3/20 0.46
MMP13 P45452 3/20 0.46
ADAM17 P78536 3/20 0.46
MMP3 P08254 2/20 0.46
F2 P00734 3/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
CFD P00746 1/20 0.44
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
SCHEMBL8520410 0.99 LMNA (0.51) LMNATSHRMEN1ALDH1A1KMT2A
SCHEMBL5994373 0.91 ALDH1A1 (0.54) LMNATSHRALDH1A1GAAKCNH2
SCHEMBL13014753 0.89 KCNH2 (0.49) LMNATSHRMEN1ALDH1A1KMT2A
SCHEMBL13014755 0.88 LMNA (0.50) LMNATSHRMEN1ALDH1A1KMT2A
SCHEMBL17527195 0.86 KCNH2 (0.56) LMNATSHRMEN1ALDH1A1KMT2A
SCHEMBL3733552 0.84 LMNA (0.52) LMNATSHRMEN1ALDH1A1KMT2A
SCHEMBL17220302 0.82 GAA (0.54) LMNATSHRMEN1ALDH1A1KMT2A
SCHEMBL5992939 0.82 DPP4 (0.60) ALDH1A1KCNH2MMP1MMP13ADAM17
SCHEMBL27828766 0.82 GAA (0.54) LMNATSHRMEN1ALDH1A1KMT2A
SCHEMBL3043417 0.81 KCNH2 (0.54) LMNATSHRMEN1ALDH1A1KMT2A

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
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
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

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 LMNA 3118/4885TSHR 4834/4885MEN1 4681/4885
US-20120115918-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS LMNA 3118/4885TSHR 4834/4885MEN1 4681/4885
US-20140315792-A1 ANTI-VIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS LMNA 3118/4885TSHR 4834/4885MEN1 4681/4885
US-20140155382-A1 ANTI-VIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS LMNA 3118/4885TSHR 4834/4885MEN1 4681/4885
US-20150218194-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS LMNA 3118/4885TSHR 4834/4885MEN1 4681/4885
US-20120172290-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS LMNA 3118/4885TSHR 4834/4885MEN1 4681/4885

“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.