SCHEMBL7878692

SCHEMBL7878692

COc1cccc(N[C@H]2CCCCC/C=C\[C@@H]3C[C@@]3(C(=O)O)NC(=O)[C@@H]3C[C@@H](Oc4nc5ccc(F)cc5s4)CN3C2=O)c1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ADRB3 P13945 1/20 0.48
▸ ADRA2B P18089 1/20 0.48
▸ ADRA2C P18825 1/20 0.48
▸ HCRTR1 O43613 6/20 0.36
▸ CTSB P07858 1/20 0.36
▸ CYP3A4 P08684 2/20 0.34
▸ HCRTR2 O43614 6/20 0.32
▸ RIPK1 Q13546 1/20 0.32
▸ RIPK3 Q9Y572 1/20 0.32
▸ ROCK2 O75116 2/20 0.32
▸ CLK1 P49759 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ PDE10A Q9Y233 1/20 0.32
▸ P2RX3 P56373 1/20 0.32

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
SCHEMBL7875718 0.96 ADRB3 (0.47) ADRB3ADRA2BADRA2CHCRTR1CTSB
SCHEMBL7875912 0.96 ADRB3 (0.49) ADRB3ADRA2BADRA2CCTSBCYP3A4
SCHEMBL7874357 0.95 ADRB3 (0.45) ADRB3ADRA2BADRA2CHCRTR1CTSB
SCHEMBL7870067 0.94 ADRB3 (0.49) ADRB3ADRA2BADRA2CHCRTR1CTSB
SCHEMBL7870055 0.94 ADRB3 (0.48) ADRB3ADRA2BADRA2CHCRTR1CTSB
SCHEMBL7876815 0.94 ADRB3 (0.48) ADRB3ADRA2BADRA2CHCRTR1CTSB
SCHEMBL7873074 0.94 ADRB3 (0.50) ADRB3ADRA2BADRA2CCTSBCYP3A4
SCHEMBL7869763 0.94 ADRB3 (0.46) ADRB3ADRA2BADRA2CHCRTR1CTSB
SCHEMBL7870519 0.93 ADRB3 (0.43) ADRB3ADRA2BADRA2CHCRTR1CTSB
SCHEMBL7868874 0.92 ADRB3 (0.49) ADRB3ADRA2BADRA2CHCRTR1CTSB

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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