SCHEMBL7876963

SCHEMBL7876963

O=C1N[C@]2(C(=O)O)C[C@H]2/C=C\CCCCC[C@H](Nc2ccccc2)C(=O)N2C[C@H](Oc3nc(-c4ccccc4)nc4ccccc34)C[C@@H]12

nearest known ligand 0.45

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
▸ CTSB P07858 1/20 0.36
▸ CYP3A4 P08684 2/20 0.34
▸ PDE5A O76074 1/20 0.31
▸ ACP1 P24666 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.30
▸ L3MBTL1 Q9Y468 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
SCHEMBL7869654 0.91 CTSB (0.47) ADRB3ADRA2BADRA2CCTSBCYP3A4
SCHEMBL7875767 0.89 CYP3A4 (0.45) ADRB3ADRA2BADRA2CCTSBCYP3A4
SCHEMBL7875375 0.88 ADRB3 (0.46) ADRB3ADRA2BADRA2CCTSBCYP3A4
SCHEMBL7876989 0.87 ADRB3 (0.46) ADRB3ADRA2BADRA2CCTSBCYP3A4
SCHEMBL7869319 0.86 ADRB3 (0.47) ADRB3ADRA2BADRA2CCTSBCYP3A4
SCHEMBL7869330 0.86 ADRB3 (0.46) ADRB3ADRA2BADRA2CCTSBCYP3A4
SCHEMBL7877595 0.86 ADRB3 (0.45) ADRB3ADRA2BADRA2CCTSBCYP3A4
SCHEMBL7871530 0.85 ADRB3 (0.47) ADRB3ADRA2BADRA2CCTSBCYP3A4
SCHEMBL7866509 0.84 ADRB3 (0.46) ADRB3ADRA2BADRA2CCTSBCYP3A4
SCHEMBL3069458 0.83 ADRB3 (0.56) ADRB3ADRA2BADRA2CCTSBCYP3A4

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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