SCHEMBL14175706

SCHEMBL14175706

CCOC(=O)[C@@]12C[C@H]1/C=C\CCCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC(Oc3nc4ccccc4nc3-c3cccs3)C[C@H]1C(=O)N2

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ADRB3 P13945 1/20 0.44
▸ ADRA2B P18089 1/20 0.44
▸ ADRA2C P18825 1/20 0.44
▸ CYP3A4 P08684 2/20 0.38

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
SCHEMBL8025142 1.00 ADRB3 (0.44) ADRB3ADRA2BADRA2CCYP3A4
SCHEMBL7926611 1.00 ADRB3 (0.44) ADRB3ADRA2BADRA2CCYP3A4
SCHEMBL12669959 1.00 ADRB3 (0.44) ADRB3ADRA2BADRA2CCYP3A4
SCHEMBL16120503 0.95 ADRB3 (0.44) ADRB3ADRA2BADRA2CCYP3A4
SCHEMBL10210755 0.95 ADRB3 (0.44) ADRB3ADRA2BADRA2CCYP3A4
SCHEMBL12762654 0.94 ADRB3 (0.50) ADRB3ADRA2BADRA2CCYP3A4
SCHEMBL7918555 0.93 ADRB3 (0.50) ADRB3ADRA2BADRA2CCYP3A4
SCHEMBL13783719 0.93 ADRB3 (0.50) ADRB3ADRA2BADRA2CCYP3A4
SCHEMBL7920981 0.93 ADRB3 (0.50) ADRB3ADRA2BADRA2CCYP3A4
SCHEMBL14175708 0.93 ADRB3 (0.50) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080152622-A1 QUINOXALINYL MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC 2008-06-26 — — 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-20080152622-A1 QUINOXALINYL MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS PRSS1, SPINT2, HPN ADRB3 4665/4885ADRA2B 4704/4885ADRA2C 4385/4885

“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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