SCHEMBL7868874

SCHEMBL7868874

COc1ccc2nc(O[C@@H]3C[C@H]4C(=O)N[C@]5(C(=O)O)C[C@H]5/C=C\CCCCC[C@H](Nc5ccccc5)C(=O)N4C3)sc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRB3 P13945 1/20 0.49
▸ ADRA2B P18089 1/20 0.49
▸ ADRA2C P18825 1/20 0.49
▸ CTSB P07858 1/20 0.40
▸ P2RX3 P56373 1/20 0.36
▸ MAOA P21397 1/20 0.34
▸ MAOB P27338 1/20 0.34
▸ MEN1 O00255 4/20 0.34
▸ KMT2A Q03164 4/20 0.34
▸ ITK Q08881 2/20 0.34
▸ MAPT P10636 5/20 0.34
▸ NPC1 O15118 3/20 0.34
▸ RAB9A P51151 3/20 0.34
▸ POLB P06746 2/20 0.34
▸ NFKB1 P19838 2/20 0.34
▸ NFKB2 Q00653 2/20 0.34
▸ RELA Q04206 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34

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
SCHEMBL7875912 0.96 ADRB3 (0.49) ADRB3ADRA2BADRA2CCTSBP2RX3
SCHEMBL7875718 0.94 ADRB3 (0.47) ADRB3ADRA2BADRA2CCTSBP2RX3
SCHEMBL7877639 0.93 ADRB3 (0.43) ADRB3ADRA2BADRA2CCTSBP2RX3
SCHEMBL7873074 0.93 ADRB3 (0.50) ADRB3ADRA2BADRA2CCTSBMAPT
SCHEMBL7874085 0.93 ADRB3 (0.46) ADRB3ADRA2BADRA2CCTSBP2RX3
SCHEMBL7866585 0.93 ADRB3 (0.47) ADRB3ADRA2BADRA2CCTSBMAPT
SCHEMBL7870067 0.92 ADRB3 (0.49) ADRB3ADRA2BADRA2CCTSBP2RX3
SCHEMBL7878692 0.92 ADRB3 (0.48) ADRB3ADRA2BADRA2CCTSBP2RX3
SCHEMBL7870055 0.92 ADRB3 (0.48) ADRB3ADRA2BADRA2CCTSBP2RX3
SCHEMBL7876815 0.92 ADRB3 (0.48) ADRB3ADRA2BADRA2CCTSBP2RX3

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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