SCHEMBL4245010

SCHEMBL4245010

CC(C)S(=O)(=O)NC(=O)[C@@]12C[C@H]1/C=C/CCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H](OC(=O)N3CCc4ccccc4C3)C[C@H]1C(=O)N2

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ADRB3 P13945 1/20 0.41
▸ ADRA2B P18089 1/20 0.41
▸ ADRA2C P18825 1/20 0.41
▸ CYP3A4 P08684 2/20 0.38
▸ CTSB P07858 1/20 0.33
▸ REN P00797 1/20 0.32
▸ RAMP1 O60894 3/20 0.31
▸ CALCRL Q16602 3/20 0.31
▸ DRD2 P14416 2/20 0.31
▸ BCL2 P10415 1/20 0.31
▸ PRMT5 O14744 1/20 0.31
▸ WDR77 Q9BQA1 1/20 0.31
▸ CTSS P25774 1/20 0.31
▸ CTSK P43235 1/20 0.31

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
SCHEMBL4245015 1.00 ADRB3 (0.41) ADRB3ADRA2BADRA2CCYP3A4CTSB
SCHEMBL13880420 1.00 ADRB3 (0.41) ADRB3ADRA2BADRA2CCYP3A4CTSB
SCHEMBL8279044 1.00 ADRB3 (0.41) ADRB3ADRA2BADRA2CCYP3A4CTSB
SCHEMBL3969274 0.96 ADRB3 (0.41) ADRB3ADRA2BADRA2CCYP3A4CTSB
SCHEMBL3969278 0.96 ADRB3 (0.41) ADRB3ADRA2BADRA2CCYP3A4CTSB
SCHEMBL8279062 0.96 ADRB3 (0.41) ADRB3ADRA2BADRA2CCYP3A4CTSB
SCHEMBL13880421 0.94 ADRB3 (0.40) ADRB3ADRA2BADRA2CCYP3A4CTSB
SCHEMBL8278114 0.94 ADRB3 (0.40) ADRB3ADRA2BADRA2CCYP3A4CTSB
SCHEMBL3968652 0.94 ADRB3 (0.40) ADRB3ADRA2BADRA2CCYP3A4CTSB
SCHEMBL11975739 0.94 ADRB3 (0.45) ADRB3ADRA2BADRA2CCYP3A4CTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090286843-A1 MACROCYCLIC COMPOUNDS AS INHIBITORS OF VIRAL REPLICATION HOFFMANN-LA ROCHE INC. 2009-11-19 — — US disclosed
US-20090111982-A1 MACROCYCLIC COMPOUNDS AS INHIBITORS OF VIRAL REPLICATION HOFFMANN-LA ROCHE INC. 2009-04-30 — — US disclosed
US-20090111969-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

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-20090111982-A1 MACROCYCLIC COMPOUNDS AS INHIBITORS OF VIRAL REPLICATION EIF2AK2, HAVCR2, ZC3HAV1 ADRB3 4337/4885ADRA2B 4492/4885ADRA2C 3960/4885
US-20090286843-A1 MACROCYCLIC COMPOUNDS AS INHIBITORS OF VIRAL REPLICATION EIF2AK2, HAVCR2, ZC3HAV1 ADRB3 4337/4885ADRA2B 4492/4885ADRA2C 3960/4885
US-20090111969-A1 MACROCYCLIC COMPOUNDS AS INHIBITORS OF VIRAL REPLICATION EIF2AK2, HAVCR2, ZC3HAV1 ADRB3 4337/4885ADRA2B 4492/4885ADRA2C 3960/4885
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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