SCHEMBL11984181

SCHEMBL11984181

CC(C)(C)OC(=O)N[C@H]1CCCCC/C=C\[C@@H]2C[C@@]2(C(=O)NC2CC2)NC(=O)[C@@H]2CCCN2C1=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRB3 P13945 1/20 0.36
▸ ADRA2B P18089 1/20 0.36
▸ ADRA2C P18825 1/20 0.36
▸ F2 P00734 1/20 0.34
▸ F10 P00742 1/20 0.34
▸ PRSS1 P07477 1/20 0.34
▸ GAA P10253 2/20 0.34
▸ CYP3A4 P08684 2/20 0.32
▸ CA1 P00915 1/20 0.32
▸ CA2 P00918 1/20 0.32
▸ XIAP P98170 1/20 0.31
▸ BIRC3 Q13489 1/20 0.31
▸ BIRC2 Q13490 1/20 0.31
▸ OPRM1 P35372 1/20 0.30
▸ OPRD1 P41143 1/20 0.30
▸ OPRK1 P41145 1/20 0.30
▸ OGFRL1 Q5TC84 1/20 0.30
▸ NPC1L1 Q9UHC9 1/20 0.30
▸ CTSB P07858 1/20 0.30
▸ EPHX1 P07099 2/20 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
SCHEMBL11984121 0.98 GAA (0.36) ADRB3ADRA2BADRA2CF2F10
SCHEMBL13059758 0.98 GAA (0.36) ADRB3ADRA2BADRA2CF2F10
SCHEMBL12808401 0.93 ADRB3 (0.36) ADRB3ADRA2BADRA2CF2F10
SCHEMBL1645862 0.91 ADRB3 (0.42) ADRB3ADRA2BADRA2CF2F10
SCHEMBL8237408 0.91 ADRB3 (0.42) ADRB3ADRA2BADRA2CF2F10
SCHEMBL1645865 0.91 ADRB3 (0.42) ADRB3ADRA2BADRA2CF2F10
SCHEMBL13059226 0.91 ADRB3 (0.42) ADRB3ADRA2BADRA2CF2F10
SCHEMBL8378473 0.91 ADRB3 (0.42) ADRB3ADRA2BADRA2CF2F10
SCHEMBL7999967 0.91 ADRB3 (0.42) ADRB3ADRA2BADRA2CF2F10
SCHEMBL1645860 0.91 ADRB3 (0.42) ADRB3ADRA2BADRA2CF2F10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8299021-B2 Macrocyclic inhibitors of hepatitis C virus replication INTERMUNE, INC. (US) 2012-10-30 — — US disclosed
US-20120208995-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION ARRAY BIOPHARMA, INC. (US) 2012-08-16 — — US disclosed
US-7829665-B2 Macrocyclic inhibitors of hepatitis C virus replication INTERMUNE, INC. (US) 2010-11-09 — — US disclosed
US-7829665-B2 Macrocyclic inhibitors of hepatitis C virus replication INTERMUNE, INC. (US) 2010-11-09 — — US disclosed
US-20090169510-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2009-07-02 — — US disclosed
US-20090169510-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2009-07-02 — — US disclosed
US-20090148407-A1 Novel Macrocyclic Inhibitors of Hepatitis C Virus Replication INTERMUNE, INC. (US) 2009-06-11 — — US disclosed
US-20090148407-A1 Novel Macrocyclic Inhibitors of Hepatitis C Virus Replication INTERMUNE, INC. (US) 2009-06-11 — — US disclosed
US-20070054842-A1 Novel macrocyclic inhibitors of hepatitis C virus replication ARRAY BIOPHARMA, INC. 2007-03-08 — — US disclosed
US-20070054842-A1 Novel macrocyclic inhibitors of hepatitis C virus replication ARRAY BIOPHARMA, INC. 2007-03-08 — — 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 (4 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-20090169510-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION EIF2AK2, HAVCR2, HCCS ADRB3 4572/4885ADRA2B 4492/4885ADRA2C 4004/4885
US-20070054842-A1 Novel macrocyclic inhibitors of hepatitis C virus replication EIF2AK2, HAVCR2, HCCS ADRB3 4572/4885ADRA2B 4492/4885ADRA2C 4004/4885
US-20120208995-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION EIF2AK2, HAVCR2, HCCS ADRB3 4572/4885ADRA2B 4492/4885ADRA2C 4004/4885
US-20090148407-A1 Novel Macrocyclic Inhibitors of Hepatitis C Virus Replication EIF2AK2, HAVCR2, HCCS ADRB3 4531/4885ADRA2B 4489/4885ADRA2C 3998/4885

“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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