SCHEMBL13886148

SCHEMBL13886148

CC(C)(C)OC(=O)N[C@H]1CCCCC/C=C\[C@@H]2CC2NC(=O)[C@@H]2C[C@@H](OC(=O)N3Cc4ccccc4C3)CN2C1=O

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 1/20 0.33
▸ ADRB3 P13945 1/20 0.33
▸ ADRA2B P18089 1/20 0.33
▸ ADRA2C P18825 1/20 0.33
▸ RAMP1 O60894 3/20 0.33
▸ CALCRL Q16602 3/20 0.33
▸ NAMPT P43490 3/20 0.33
▸ BACE1 P56817 2/20 0.32
▸ PDE4B Q07343 3/20 0.31
▸ DRD2 P14416 2/20 0.31
▸ PRMT5 O14744 1/20 0.31
▸ WDR77 Q9BQA1 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
SCHEMBL8278256 1.00 REN (0.33) RENADRB3ADRA2BADRA2CRAMP1
SCHEMBL8294160 0.95 DRD2 (0.35) RENADRB3ADRA2BADRA2CRAMP1
SCHEMBL8165110 0.93 DDB1 (0.34) ADRB3ADRA2BADRA2C
SCHEMBL12770115 0.93 DDB1 (0.34) ADRB3ADRA2BADRA2C
SCHEMBL5611990 0.89 RAMP1 (0.34) RENADRB3ADRA2BADRA2CRAMP1
SCHEMBL8294626 0.87 MEN1 (0.37) ADRB3ADRA2BADRA2CPDE4B
SCHEMBL13896342 0.87 SCN9A (0.32) ADRB3ADRA2BADRA2CDRD2
SCHEMBL1655060 0.85 ADRB3 (0.46) RENADRB3ADRA2BADRA2CRAMP1
SCHEMBL3799240 0.85 ADRB3 (0.46) RENADRB3ADRA2BADRA2CRAMP1
SCHEMBL13818335 0.85 ADRB3 (0.46) RENADRB3ADRA2BADRA2CRAMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090105471-A1 MACROCYCLIC COMPOUNDS AS INHIBITORS OF VIRAL REPLICATION HOFFMANN-LA ROCHE INC. 2009-04-23 — — 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 (1 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-20090105471-A1 MACROCYCLIC COMPOUNDS AS INHIBITORS OF VIRAL REPLICATION EIF2AK2, HAVCR2, ZC3HAV1 REN 138/4885ADRB3 4337/4885ADRA2B 4492/4885

“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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