SCHEMBL6877023

SCHEMBL6877023

CCOC(=O)[C@@]12C[C@H]1/C=C\CCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H](Oc3nc4ccccc4nc3-c3cccc(Br)c3)C[C@H]1C(=O)N2

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ADRB3 P13945 1/20 0.41
▸ ADRA2B P18089 1/20 0.41
▸ ADRA2C P18825 1/20 0.41
▸ CYP3A4 P08684 2/20 0.38
▸ CTSB P07858 1/20 0.32

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
SCHEMBL3069823 0.94 ADRB3 (0.43) ADRB3ADRA2BADRA2CCYP3A4CTSB
SCHEMBL3069819 0.94 ADRB3 (0.43) ADRB3ADRA2BADRA2CCYP3A4CTSB
SCHEMBL6876944 0.93 ADRB3 (0.41) ADRB3ADRA2BADRA2CCYP3A4CTSB
SCHEMBL6876232 0.91 ADRB3 (0.40) ADRB3ADRA2BADRA2CCYP3A4CTSB
SCHEMBL8314727 0.90 ADRB3 (0.44) ADRB3ADRA2BADRA2CCYP3A4CTSB
SCHEMBL13783730 0.90 ADRB3 (0.44) ADRB3ADRA2BADRA2CCYP3A4CTSB
SCHEMBL2159021 0.90 ADRB3 (0.43) ADRB3ADRA2BADRA2CCYP3A4CTSB
SCHEMBL12669942 0.90 ADRB3 (0.43) ADRB3ADRA2BADRA2CCYP3A4CTSB
SCHEMBL3066039 0.90 ADRB3 (0.43) ADRB3ADRA2BADRA2CCYP3A4CTSB
SCHEMBL13783722 0.90 ADRB3 (0.43) ADRB3ADRA2BADRA2CCYP3A4CTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9193740-B2 Bismacrocyclic compounds as hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2015-11-24 — — US disclosed
US-20110123496-A1 BISMACROCYCLIC COMPOUNDS AS HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-05-26 — — US disclosed
WO-2011049908-A2 BISMACROKYCLIC COMPOUNDS AS HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2011-04-28 — — WO 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-20110123496-A1 BISMACROCYCLIC COMPOUNDS AS HEPATITIS C VIRUS INHIBITORS PRSS1, CTSC, CES1 ADRB3 3751/4885ADRA2B 4026/4885ADRA2C 2780/4885

“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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