SCHEMBL7924764

SCHEMBL7924764

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 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ADRB3 P13945 1/20 0.45
▸ ADRA2B P18089 1/20 0.45
▸ ADRA2C P18825 1/20 0.45
▸ CYP3A4 P08684 2/20 0.36
▸ GAA P10253 1/20 0.32
▸ BACE1 P56817 2/20 0.31
▸ F2 P00734 1/20 0.31
▸ F10 P00742 1/20 0.31
▸ PRSS1 P07477 1/20 0.31
▸ PDE4B Q07343 2/20 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
SCHEMBL13623660 1.00 ADRB3 (0.45) ADRB3ADRA2BADRA2CCYP3A4GAA
SCHEMBL13509096 0.94 ADRB3 (0.40) ADRB3ADRA2BADRA2CCYP3A4GAA
SCHEMBL7926496 0.93 ADRB3 (0.40) ADRB3ADRA2BADRA2CCYP3A4GAA
SCHEMBL7926638 0.92 ADRB3 (0.40) ADRB3ADRA2BADRA2CCYP3A4GAA
SCHEMBL5530641 0.92 ADRB3 (0.45) ADRB3ADRA2BADRA2CCYP3A4GAA
SCHEMBL7876742 0.92 ADRB3 (0.45) ADRB3ADRA2BADRA2CCYP3A4GAA
SCHEMBL2624064 0.92 ADRB3 (0.45) ADRB3ADRA2BADRA2CCYP3A4GAA
SCHEMBL5534012 0.92 ADRB3 (0.45) ADRB3ADRA2BADRA2CCYP3A4GAA
SCHEMBL3058266 0.92 ADRB3 (0.45) ADRB3ADRA2BADRA2CCYP3A4GAA
SCHEMBL5534015 0.92 ADRB3 (0.45) ADRB3ADRA2BADRA2CCYP3A4GAA

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7906513-B2 Prevent reproduction; breaking life cycle;viricides ENANTA PHARMACEUTICALS, INC. (US) 2011-03-15 — — US disclosed
US-20110059047-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2011-03-10 — — US disclosed
US-20090286843-A1 MACROCYCLIC COMPOUNDS AS INHIBITORS OF VIRAL REPLICATION HOFFMANN-LA ROCHE INC. 2009-11-19 — — US disclosed
US-7582605-B2 Phosphorus-containing hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2009-09-01 — — US disclosed
US-20090111982-A1 MACROCYCLIC COMPOUNDS AS INHIBITORS OF VIRAL REPLICATION HOFFMANN-LA ROCHE INC. 2009-04-30 — — US disclosed
US-7491794-B2 Macrocyclic compounds as inhibitors of viral replication INTERMUNE, INC. (US) 2009-02-17 — — US disclosed
US-20080267917-A1 N-FUNCTIONALIZED AMIDES AS HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2008-10-30 — — US disclosed
US-20080269228-A1 HYDRAZIDE-CONTAINING HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2008-10-30 — — US disclosed
US-20080039375-A1 Phosphorus-containing hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. 2008-02-14 — — 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 (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-20090111982-A1 MACROCYCLIC COMPOUNDS AS INHIBITORS OF VIRAL REPLICATION EIF2AK2, HAVCR2, ZC3HAV1 ADRB3 4337/4885ADRA2B 4492/4885ADRA2C 3960/4885
US-20090286843-A1 MACROCYCLIC COMPOUNDS AS INHIBITORS OF VIRAL REPLICATION EIF2AK2, HAVCR2, ZC3HAV1 ADRB3 4337/4885ADRA2B 4492/4885ADRA2C 3960/4885
US-20080267917-A1 N-FUNCTIONALIZED AMIDES AS HEPATITIS C SERINE PROTEASE INHIBITORS PRSS1, HPN, SPINT2 ADRB3 4431/4885ADRA2B 4247/4885ADRA2C 3657/4885
US-20110059047-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION EIF2AK2, HAVCR2, ZC3HAV1 ADRB3 4326/4885ADRA2B 4470/4885ADRA2C 3995/4885
US-20080269228-A1 HYDRAZIDE-CONTAINING HEPATITIS C SERINE PROTEASE INHIBITORS HPN, SPINT2, PRSS1 ADRB3 4022/4885ADRA2B 3761/4885ADRA2C 3387/4885
US-20080039375-A1 Phosphorus-containing hepatitis C serine protease inhibitors PRSS1, PPP4C, G6PC1 ADRB3 4693/4885ADRA2B 4680/4885ADRA2C 4381/4885

“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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