SCHEMBL3799240

SCHEMBL3799240

CC(C)(C)OC(=O)N[C@H]1CCCCCC=C[C@@H]2C[C@@]2(C(=O)O)NC(=O)[C@@H]2C[C@@H](OC(=O)N3Cc4ccccc4C3)CN2C1=O

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ADRB3 P13945 1/20 0.46
▸ ADRA2B P18089 1/20 0.46
▸ ADRA2C P18825 1/20 0.46
▸ CYP3A4 P08684 2/20 0.34
▸ RAMP1 O60894 3/20 0.34
▸ CALCRL Q16602 3/20 0.34
▸ REN P00797 1/20 0.33
▸ PDE4B Q07343 3/20 0.32
▸ NAMPT P43490 2/20 0.31
▸ DPP8 Q6V1X1 1/20 0.31
▸ DPP9 Q86TI2 1/20 0.31
▸ BACE1 P56817 2/20 0.31
▸ DDB1 Q16531 1/20 0.30
▸ CRBN Q96SW2 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
SCHEMBL1655060 1.00 ADRB3 (0.46) ADRB3ADRA2BADRA2CCYP3A4RAMP1
SCHEMBL1655061 1.00 ADRB3 (0.46) ADRB3ADRA2BADRA2CCYP3A4RAMP1
SCHEMBL13818335 1.00 ADRB3 (0.46) ADRB3ADRA2BADRA2CCYP3A4RAMP1
SCHEMBL3799236 1.00 ADRB3 (0.46) ADRB3ADRA2BADRA2CCYP3A4RAMP1
SCHEMBL1655063 1.00 ADRB3 (0.46) ADRB3ADRA2BADRA2CCYP3A4RAMP1
SCHEMBL3799238 1.00 ADRB3 (0.46) ADRB3ADRA2BADRA2CCYP3A4RAMP1
SCHEMBL3975388 0.96 ADRB3 (0.46) ADRB3ADRA2BADRA2CCYP3A4RAMP1
SCHEMBL3965585 0.96 ADRB3 (0.46) ADRB3ADRA2BADRA2CCYP3A4RAMP1
SCHEMBL3975386 0.96 ADRB3 (0.46) ADRB3ADRA2BADRA2CCYP3A4RAMP1
SCHEMBL3965581 0.96 ADRB3 (0.46) ADRB3ADRA2BADRA2CCYP3A4RAMP1

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 12 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-20090286843-A1 MACROCYCLIC COMPOUNDS AS INHIBITORS OF VIRAL REPLICATION HOFFMANN-LA ROCHE INC. 2009-11-19 — — 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-20090111969-A1 MACROCYCLIC COMPOUNDS AS INHIBITORS OF VIRAL REPLICATION HOFFMANN-LA ROCHE INC. 2009-04-30 — — US disclosed
US-20090111982-A1 MACROCYCLIC COMPOUNDS AS INHIBITORS OF VIRAL REPLICATION HOFFMANN-LA ROCHE INC. 2009-04-30 — — US disclosed
US-20090105471-A1 MACROCYCLIC COMPOUNDS AS INHIBITORS OF VIRAL REPLICATION HOFFMANN-LA ROCHE INC. 2009-04-23 — — US disclosed
US-7491794-B2 Macrocyclic compounds as inhibitors of viral replication INTERMUNE, INC. (US) 2009-02-17 — — US disclosed
US-20070054842-A1 Novel macrocyclic inhibitors of hepatitis C virus replication ARRAY BIOPHARMA, INC. 2007-03-08 — — US disclosed
US-20050267018-A1 Macrocyclic compounds as inhibitors of viral replication HOFFMANN-LA ROCHE INC. 2005-12-01 — — 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 (9 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-20090111982-A1 MACROCYCLIC COMPOUNDS AS INHIBITORS OF VIRAL REPLICATION EIF2AK2, HAVCR2, ZC3HAV1 ADRB3 4337/4885ADRA2B 4492/4885ADRA2C 3960/4885
US-20090169510-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION EIF2AK2, HAVCR2, HCCS ADRB3 4572/4885ADRA2B 4492/4885ADRA2C 4004/4885
US-20090286843-A1 MACROCYCLIC COMPOUNDS AS INHIBITORS OF VIRAL REPLICATION EIF2AK2, HAVCR2, ZC3HAV1 ADRB3 4337/4885ADRA2B 4492/4885ADRA2C 3960/4885
US-20070054842-A1 Novel macrocyclic inhibitors of hepatitis C virus replication EIF2AK2, HAVCR2, HCCS ADRB3 4572/4885ADRA2B 4492/4885ADRA2C 4004/4885
US-20090111969-A1 MACROCYCLIC COMPOUNDS AS INHIBITORS OF VIRAL REPLICATION EIF2AK2, HAVCR2, ZC3HAV1 ADRB3 4337/4885ADRA2B 4492/4885ADRA2C 3960/4885
US-20120208995-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION EIF2AK2, HAVCR2, HCCS ADRB3 4572/4885ADRA2B 4492/4885ADRA2C 4004/4885
US-20050267018-A1 Macrocyclic compounds as inhibitors of viral replication EIF2AK2, HAVCR2, ZC3HAV1 ADRB3 4337/4885ADRA2B 4492/4885ADRA2C 3960/4885
US-20090148407-A1 Novel Macrocyclic Inhibitors of Hepatitis C Virus Replication EIF2AK2, HAVCR2, HCCS ADRB3 4531/4885ADRA2B 4489/4885ADRA2C 3998/4885
US-20090105471-A1 MACROCYCLIC COMPOUNDS AS INHIBITORS OF VIRAL REPLICATION EIF2AK2, HAVCR2, ZC3HAV1 ADRB3 4337/4885ADRA2B 4492/4885ADRA2C 3960/4885

“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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