SCHEMBL13798289

SCHEMBL13798289

O=C(N[C@H]1CCCCC/C=C\[C@@H]2C[C@@]2(C(=O)NS(=O)(=O)C2CC2)NC(=O)[C@@H]2C[C@@H](OC(=O)N3Cc4cccc(F)c4C3)CN2C1=O)OC1CCOC1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ADRB3 P13945 1/20 0.37
▸ ADRA2B P18089 1/20 0.37
▸ ADRA2C P18825 1/20 0.37
▸ CTSB P07858 1/20 0.35
▸ CYP3A4 P08684 2/20 0.33
▸ CTSS P25774 1/20 0.32
▸ ADAM10 O14672 1/20 0.31
▸ MMP2 P08253 1/20 0.31
▸ MMP3 P08254 1/20 0.31
▸ MMP9 P14780 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
SCHEMBL3470451 0.97 ADRB3 (0.39) ADRB3ADRA2BADRA2CCTSBCYP3A4
SCHEMBL3470449 0.97 ADRB3 (0.39) ADRB3ADRA2BADRA2CCTSBCYP3A4
SCHEMBL11984211 0.94 ADRB3 (0.41) ADRB3ADRA2BADRA2CCTSBCYP3A4
SCHEMBL3470507 0.94 ADRB3 (0.37) ADRB3ADRA2BADRA2CCTSBCYP3A4
SCHEMBL3470510 0.94 ADRB3 (0.37) ADRB3ADRA2BADRA2CCTSBCYP3A4
SCHEMBL13798277 0.94 ADRB3 (0.37) ADRB3ADRA2BADRA2CCTSBCYP3A4
SCHEMBL13798303 0.94 ADRB3 (0.40) ADRB3ADRA2BADRA2CCTSBCYP3A4
SCHEMBL13892448 0.94 ADRB3 (0.39) ADRB3ADRA2BADRA2CCTSBCYP3A4
SCHEMBL3969670 0.94 ADRB3 (0.39) ADRB3ADRA2BADRA2CCTSBCYP3A4
SCHEMBL8278126 0.94 ADRB3 (0.39) ADRB3ADRA2BADRA2CCTSBCYP3A4

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 2 patents. 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
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 ADRB3 4329/4885ADRA2B 4524/4885ADRA2C 4066/4885

“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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