SCHEMBL3774408

SCHEMBL3774408

CC(C)(C)OC(=O)N1CCCC1c1nc(-c2ccc(C3CCC(c4ccc(N)cc4)N3c3ccc(F)cc3)cc2)c[nH]1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.36
CCNC P24863 1/20 0.35
CDK8 P49336 1/20 0.35
ENPP2 Q13822 1/20 0.35
TRPV1 Q8NER1 2/20 0.34
UCHL1 P09936 1/20 0.34
USP30 Q70CQ3 1/20 0.34
PRCP P42785 1/20 0.34

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
SCHEMBL3774410 1.00 ROCK2 (0.36) ROCK2CCNCCDK8ENPP2TRPV1
SCHEMBL1984714 0.92 PRCP (0.35) UCHL1USP30PRCP
SCHEMBL1984716 0.92 PRCP (0.35) UCHL1USP30PRCP
SCHEMBL1987265 0.89 ALDH1A1 (0.41) ROCK2ENPP2UCHL1USP30
SCHEMBL1987266 0.89 ALDH1A1 (0.41) ROCK2ENPP2UCHL1USP30
SCHEMBL13013262 0.88 RIPK1 (0.40) UCHL1USP30
SCHEMBL1982510 0.87 NPC1 (0.49) TRPV1UCHL1USP30
SCHEMBL1982512 0.87 NPC1 (0.49) TRPV1UCHL1USP30
SCHEMBL1982516 0.87 NPC1 (0.49) TRPV1UCHL1USP30
SCHEMBL17396061 0.87 TRPV1 (0.42) TRPV1UCHL1USP30PRCP

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 12 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

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 ROCK2 2387/4885CCNC 112/4885CDK8 181/4885
US-20140315792-A1 ANTI-VIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS ROCK2 2387/4885CCNC 112/4885CDK8 181/4885
US-20150218194-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS ROCK2 2387/4885CCNC 112/4885CDK8 181/4885

“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.