SCHEMBL11976295

SCHEMBL11976295

CC(C)C[C@@H]1C[C@H]2C(=O)N[C@]3(C(=O)O)C[C@H]3/C=C\CCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N2C1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ADRB3 P13945 1/20 0.45
▸ ADRA2B P18089 1/20 0.45
▸ ADRA2C P18825 1/20 0.45
▸ CYP3A4 P08684 2/20 0.34
▸ REN P00797 3/20 0.32
▸ BACE1 P56817 3/20 0.32
▸ 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
SCHEMBL11984174 0.92 ADRB3 (0.40) ADRB3ADRA2BADRA2CCYP3A4REN
SCHEMBL13623660 0.90 ADRB3 (0.45) ADRB3ADRA2BADRA2CCYP3A4BACE1
SCHEMBL7924764 0.90 ADRB3 (0.45) ADRB3ADRA2BADRA2CCYP3A4BACE1
SCHEMBL8249390 0.89 CYP3A4 (0.38) ADRB3ADRA2BADRA2CCYP3A4
SCHEMBL5534015 0.88 ADRB3 (0.45) ADRB3ADRA2BADRA2CCYP3A4F2
SCHEMBL5530641 0.88 ADRB3 (0.45) ADRB3ADRA2BADRA2CCYP3A4F2
SCHEMBL5530647 0.88 ADRB3 (0.45) ADRB3ADRA2BADRA2CCYP3A4F2
SCHEMBL7876742 0.88 ADRB3 (0.45) ADRB3ADRA2BADRA2CCYP3A4F2
SCHEMBL5534012 0.88 ADRB3 (0.45) ADRB3ADRA2BADRA2CCYP3A4F2
SCHEMBL2624064 0.88 ADRB3 (0.45) 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 12 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-20120208995-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION ARRAY BIOPHARMA, INC. (US) 2012-08-16 — — 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-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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-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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