SCHEMBL7873466

SCHEMBL7873466

O=C1N[C@]2(C(=O)O)C[C@H]2/C=C\CCCCC[C@H](Nc2ccccc2)C(=O)N2C[C@H](O)C[C@@H]12

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ADRB3 P13945 1/20 0.40
▸ ADRA2B P18089 1/20 0.40
▸ ADRA2C P18825 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ BTK Q06187 1/20 0.31
▸ DDB1 Q16531 1/20 0.31
▸ CRBN Q96SW2 1/20 0.31
▸ CTSB P07858 1/20 0.31

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
SCHEMBL13071862 0.93 ADRB3 (0.39) ADRB3ADRA2BADRA2CKDM4EL3MBTL1
SCHEMBL7873503 0.91 ADRB3 (0.39) ADRB3ADRA2BADRA2CL3MBTL1MEN1
SCHEMBL13071860 0.91 ADRB3 (0.39) ADRB3ADRA2BADRA2C
SCHEMBL13071506 0.89 ADRB3 (0.40) ADRB3ADRA2BADRA2CMEN1KMT2A
SCHEMBL12831621 0.87 CTSB (0.36) ADRB3ADRA2BADRA2CKDM4EL3MBTL1
SCHEMBL7873797 0.86 CYP3A4 (0.39) ADRB3ADRA2BADRA2CKDM4EL3MBTL1
SCHEMBL12844263 0.86 CYP3A4 (0.39) ADRB3ADRA2BADRA2CKDM4EL3MBTL1
SCHEMBL7866442 0.85 ADRB3 (0.37) ADRB3ADRA2BADRA2CBTK
SCHEMBL16512401 0.84 ADRB3 (0.38) ADRB3ADRA2BADRA2C
SCHEMBL12730850 0.84 ADRB3 (0.39) ADRB3ADRA2BADRA2C

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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