SCHEMBL1987266

SCHEMBL1987266

CC(C)(C)OC(=O)N1CCC[C@H]1c1nc(-c2ccc(C3CCC(c4ccc([N+](=O)[O-])cc4)N3c3ccc(F)cc3)cc2)c[nH]1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
NR3C2 P08235 1/20 0.40
PDE5A O76074 1/20 0.35
ROCK2 O75116 1/20 0.34
POLB P06746 1/20 0.34
UCHL1 P09936 1/20 0.34
USP30 Q70CQ3 1/20 0.34
ENPP2 Q13822 1/20 0.33
GCK P35557 1/20 0.33
BCL2 P10415 1/20 0.33
BECN1 Q14457 1/20 0.33

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
SCHEMBL1987265 1.00 ALDH1A1 (0.41) ALDH1A1LMNAMAPTNR3C2PDE5A
SCHEMBL1983247 0.93 ALDH1A1 (0.41) ALDH1A1LMNAMAPTPDE5AUCHL1
SCHEMBL1983248 0.93 ALDH1A1 (0.41) ALDH1A1LMNAMAPTPDE5AUCHL1
SCHEMBL3774408 0.89 ROCK2 (0.36) ROCK2UCHL1USP30ENPP2
SCHEMBL3774410 0.89 ROCK2 (0.36) ROCK2UCHL1USP30ENPP2
SCHEMBL2793622 0.88 ALDH1A1 (0.43) ALDH1A1LMNAMAPTPOLBUCHL1
SCHEMBL2793620 0.88 ALDH1A1 (0.43) ALDH1A1LMNAMAPTPOLBUCHL1
SCHEMBL1982512 0.86 NPC1 (0.49) LMNAUCHL1USP30
SCHEMBL1982510 0.86 NPC1 (0.49) LMNAUCHL1USP30
SCHEMBL1982516 0.86 NPC1 (0.49) LMNAUCHL1USP30

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
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
EP-2337781-A2 ANTI-VIRAL COMPOUNDS TO TREAT HCV INFECTION Abbott Laboratories (US) 2011-06-29 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 ALDH1A1 2858/4885LMNA 3118/4885MAPT 2833/4885
US-20140315792-A1 ANTI-VIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS ALDH1A1 2858/4885LMNA 3118/4885MAPT 2833/4885
US-20150218194-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS ALDH1A1 2858/4885LMNA 3118/4885MAPT 2833/4885

“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.