SCHEMBL8243274

SCHEMBL8243274

CCOC(=O)[C@@]12C[C@H]1/C=C\CCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H](OC)C[C@H]1C(=O)N2

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ADRB3 P13945 1/20 0.44
▸ ADRA2B P18089 1/20 0.44
▸ ADRA2C P18825 1/20 0.44
▸ CYP3A4 P08684 2/20 0.38
▸ PDE4B Q07343 3/20 0.30
▸ BACE1 P56817 2/20 0.30
▸ F2 P00734 1/20 0.30
▸ F10 P00742 1/20 0.30
▸ PRSS1 P07477 1/20 0.30

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
SCHEMBL13059010 0.93 ADRB3 (0.43) ADRB3ADRA2BADRA2CCYP3A4
SCHEMBL13026168 0.92 ADRB3 (0.45) ADRB3ADRA2BADRA2CCYP3A4
SCHEMBL13646607 0.92 ADRB3 (0.41) ADRB3ADRA2BADRA2CCYP3A4
SCHEMBL8026934 0.92 ADRB3 (0.41) ADRB3ADRA2BADRA2CCYP3A4
SCHEMBL12315733 0.92 ADRB3 (0.41) ADRB3ADRA2BADRA2CCYP3A4
SCHEMBL10254639 0.92 ADRB3 (0.41) ADRB3ADRA2BADRA2CCYP3A4
SCHEMBL10254433 0.91 ADRB3 (0.40) ADRB3ADRA2BADRA2CCYP3A4BACE1
SCHEMBL7924768 0.91 ADRB3 (0.40) ADRB3ADRA2BADRA2CCYP3A4BACE1
SCHEMBL8320089 0.91 ADRB3 (0.40) ADRB3ADRA2BADRA2CCYP3A4F2
SCHEMBL8037005 0.91 ADRB3 (0.40) ADRB3ADRA2BADRA2CCYP3A4F2

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
US-8299021-B2 Macrocyclic inhibitors of hepatitis C virus replication INTERMUNE, INC. (US) 2012-10-30 — — US disclosed
US-8263549-B2 C5-substituted, proline-derived, macrocyclic hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2012-09-11 — — US disclosed
US-20120208995-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION ARRAY BIOPHARMA, INC. (US) 2012-08-16 — — US disclosed
EP-2305696-A2 Macrocyclic inhibitors of Hepatitis C virus replication Intermune, Inc. (US) 2011-04-06 — — EP disclosed
US-7829665-B2 Macrocyclic inhibitors of hepatitis C virus replication INTERMUNE, INC. (US) 2010-11-09 — — US disclosed
US-7829665-B2 Macrocyclic inhibitors of hepatitis C virus replication INTERMUNE, INC. (US) 2010-11-09 — — US disclosed
US-20090175822-A1 C5-SUBSTITUTED, PROLINE-DERIVED, MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2009-07-09 — — US disclosed
US-20090169510-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2009-07-02 — — US disclosed
US-20090169510-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2009-07-02 — — US disclosed
US-20090148407-A1 Novel Macrocyclic Inhibitors of Hepatitis C Virus Replication INTERMUNE, INC. (US) 2009-06-11 — — US disclosed
US-20070054842-A1 Novel macrocyclic inhibitors of hepatitis C virus replication ARRAY BIOPHARMA, INC. 2007-03-08 — — US disclosed
US-20070054842-A1 Novel macrocyclic inhibitors of hepatitis C virus replication ARRAY BIOPHARMA, INC. 2007-03-08 — — US disclosed
WO-2007015824-A2 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2007-02-08 — — 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 (5 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-20090169510-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION EIF2AK2, HAVCR2, HCCS ADRB3 4572/4885ADRA2B 4492/4885ADRA2C 4004/4885
US-20070054842-A1 Novel macrocyclic inhibitors of hepatitis C virus replication EIF2AK2, HAVCR2, HCCS ADRB3 4572/4885ADRA2B 4492/4885ADRA2C 4004/4885
US-20090175822-A1 C5-SUBSTITUTED, PROLINE-DERIVED, MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS PREP, PRSS1, CTSC ADRB3 4570/4885ADRA2B 4720/4885ADRA2C 4195/4885
US-20120208995-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION EIF2AK2, HAVCR2, HCCS ADRB3 4572/4885ADRA2B 4492/4885ADRA2C 4004/4885
US-20090148407-A1 Novel Macrocyclic Inhibitors of Hepatitis C Virus Replication EIF2AK2, HAVCR2, HCCS ADRB3 4531/4885ADRA2B 4489/4885ADRA2C 3998/4885

“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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