SCHEMBL13798454

SCHEMBL13798454

CCOC(=O)[C@@]12C[C@H]1[C@@H]1C[C@@H]1CCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H](OC(=O)N3Cc4cccc(F)c4C3)C[C@H]1C(=O)N2

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ DDB1 Q16531 1/20 0.32
▸ CRBN Q96SW2 1/20 0.32
▸ RAMP1 O60894 3/20 0.31
▸ CALCRL Q16602 3/20 0.31
▸ ADRB3 P13945 1/20 0.31
▸ ADRA2B P18089 1/20 0.31
▸ ADRA2C P18825 1/20 0.31
▸ REN P00797 1/20 0.30
▸ CYP3A4 P08684 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
SCHEMBL13798451 1.00 DDB1 (0.32) DDB1CRBNRAMP1CALCRLADRB3
SCHEMBL13798318 0.93 DDB1 (0.34) DDB1CRBNRAMP1CALCRLADRB3
SCHEMBL13798458 0.92 DDB1 (0.34) DDB1CRBNRAMP1CALCRLADRB3
SCHEMBL13798448 0.92 DDB1 (0.34) DDB1CRBNRAMP1CALCRLADRB3
SCHEMBL13798452 0.92 DDB1 (0.34) DDB1CRBNRAMP1CALCRLADRB3
SCHEMBL13798460 0.88 CYP3A4 (0.32) DDB1CRBNCYP3A4
SCHEMBL13798459 0.88 CYP3A4 (0.32) DDB1CRBNCYP3A4
SCHEMBL13798462 0.88 DDB1 (0.31) DDB1CRBNRAMP1CALCRL
SCHEMBL497884 0.88 ADRB3 (0.39) DDB1CRBNADRB3ADRA2BADRA2C
SCHEMBL497883 0.88 ADRB3 (0.39) DDB1CRBNADRB3ADRA2BADRA2C

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-20090155209-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. 2009-06-18 — — 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-20090155209-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION EIF2AK2, HAVCR2, HCCS DDB1 499/4885CRBN 1884/4885RAMP1 3386/4885

“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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