SCHEMBL13412820

SCHEMBL13412820

CCOC(=O)[C@@]12C[C@H]1/C=C\CCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H](OCc3cccc4cccnc34)C[C@H]1C(=O)N2

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ADRB3 P13945 1/20 0.42
▸ ADRA2B P18089 1/20 0.42
▸ ADRA2C P18825 1/20 0.42
▸ CYP3A4 P08684 2/20 0.37
▸ ALDH1A1 P00352 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
SCHEMBL3065116 0.87 ADRB3 (0.42) ADRB3ADRA2BADRA2CCYP3A4
SCHEMBL3693821 0.84 CYP3A4 (0.46) ADRB3ADRA2BADRA2CCYP3A4
SCHEMBL8305648 0.84 CYP3A4 (0.46) ADRB3ADRA2BADRA2CCYP3A4
SCHEMBL5564314 0.84 CYP3A4 (0.46) ADRB3ADRA2BADRA2CCYP3A4
SCHEMBL5564319 0.84 CYP3A4 (0.46) ADRB3ADRA2BADRA2CCYP3A4
SCHEMBL8243274 0.84 ADRB3 (0.44) ADRB3ADRA2BADRA2CCYP3A4
SCHEMBL2800499 0.84 ADRB3 (0.43) ADRB3ADRA2BADRA2CCYP3A4
SCHEMBL2800497 0.84 ADRB3 (0.43) ADRB3ADRA2BADRA2CCYP3A4
SCHEMBL14586229 0.83 ADRB3 (0.47) ADRB3ADRA2BADRA2CCYP3A4
SCHEMBL13059010 0.83 ADRB3 (0.43) ADRB3ADRA2BADRA2CCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7687459-B2 Arylalkoxyl hepatitis C virus protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2010-03-30 — — US disclosed
US-7687459-B2 Arylalkoxyl hepatitis C virus protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2010-03-30 — — US disclosed
US-20090041721-A1 serine protease inhibitors; interferons ENANTA PHARMACEUTICALS, INC. 2009-02-12 — — US disclosed
US-20090041721-A1 serine protease inhibitors; interferons ENANTA PHARMACEUTICALS, INC. 2009-02-12 — — 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-20090041721-A1 serine protease inhibitors; interferons PRSS1, SERPINB1, SPINT2 ADRB3 4260/4885ADRA2B 4158/4885ADRA2C 3862/4885

“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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