SCHEMBL7871968

SCHEMBL7871968

COC(=O)[C@@]12C[C@H]1/C=C\CCCCC[C@H](Nc1ccc3ccccc3c1)C(=O)N1C[C@H](Oc3nc4ccccc4s3)C[C@H]1C(=O)N2

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ADRB3 P13945 1/20 0.44
▸ ADRA2B P18089 1/20 0.44
▸ ADRA2C P18825 1/20 0.44
▸ CTSB P07858 1/20 0.36
▸ PDE10A Q9Y233 3/20 0.32
▸ CYP3A4 P08684 2/20 0.32
▸ CTSS P25774 1/20 0.31
▸ LTA4H P09960 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
SCHEMBL7865538 0.94 ADRB3 (0.46) ADRB3ADRA2BADRA2CCTSBPDE10A
SCHEMBL7866553 0.93 ADRB3 (0.43) ADRB3ADRA2BADRA2CCTSBPDE10A
SCHEMBL7872126 0.93 ADRB3 (0.43) ADRB3ADRA2BADRA2CCTSBPDE10A
SCHEMBL7874928 0.92 ADRB3 (0.44) ADRB3ADRA2BADRA2CCTSBPDE10A
SCHEMBL7875662 0.92 ADRB3 (0.44) ADRB3ADRA2BADRA2CCTSBPDE10A
SCHEMBL7865652 0.92 ADRB3 (0.43) ADRB3ADRA2BADRA2CCTSBPDE10A
SCHEMBL7871408 0.92 ADRB3 (0.44) ADRB3ADRA2BADRA2CCTSBPDE10A
SCHEMBL7871942 0.92 ADRB3 (0.44) ADRB3ADRA2BADRA2CCTSBPDE10A
SCHEMBL7874898 0.91 ADRB3 (0.43) ADRB3ADRA2BADRA2CCTSBPDE10A
SCHEMBL7866055 0.90 ADRB3 (0.42) ADRB3ADRA2BADRA2CCTSBPDE10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8048862-B2 Macrocyclic inhibitors of hepatitis C virus replication INTERMUNE, INC. (US) 2011-11-01 — — US disclosed
US-8048862-B2 Macrocyclic inhibitors of hepatitis C virus replication INTERMUNE, INC. (US) 2011-11-01 — — US disclosed
US-20110059047-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2011-03-10 — — US disclosed
WO-2009142842-A9 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2010-11-25 — — WO disclosed
WO-2009142842-A2 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2009-11-26 — — WO disclosed
US-20090269305-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2009-10-29 — — US disclosed
US-20090269305-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2009-10-29 — — 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 (2 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-20090269305-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION EIF2AK2, HAVCR2, ZC3HAV1 ADRB3 4326/4885ADRA2B 4470/4885ADRA2C 3995/4885
US-20110059047-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION EIF2AK2, HAVCR2, ZC3HAV1 ADRB3 4326/4885ADRA2B 4470/4885ADRA2C 3995/4885

“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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