SCHEMBL13509141

SCHEMBL13509141

CCOC(=O)[C@@]12C[C@H]1/C=C\CCCCC[C@H](NC(=O)OC1CCCC1)C(=O)N1C[C@@H](C)C[C@H]1C(=O)N2

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ADRB3 P13945 1/20 0.47
▸ ADRA2B P18089 1/20 0.47
▸ ADRA2C P18825 1/20 0.47
▸ NAAA Q02083 2/20 0.34
▸ CYP3A4 P08684 3/20 0.33
▸ TSHR P16473 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30
▸ EPHX1 P07099 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
SCHEMBL14408233 0.93 ADRB3 (0.49) ADRB3ADRA2BADRA2CNAAACYP3A4
SCHEMBL13540552 0.93 ADRB3 (0.49) ADRB3ADRA2BADRA2CNAAACYP3A4
SCHEMBL13051894 0.93 ADRB3 (0.49) ADRB3ADRA2BADRA2CNAAACYP3A4
SCHEMBL13509140 0.92 ADRB3 (0.47) ADRB3ADRA2BADRA2CNAAACYP3A4
SCHEMBL7924768 0.91 ADRB3 (0.40) ADRB3ADRA2BADRA2CCYP3A4
SCHEMBL10254433 0.91 ADRB3 (0.40) ADRB3ADRA2BADRA2CCYP3A4
SCHEMBL13886255 0.90 ADRB3 (0.53) ADRB3ADRA2BADRA2CNAAACYP3A4
SCHEMBL13026168 0.86 ADRB3 (0.45) ADRB3ADRA2BADRA2CNAAACYP3A4
SCHEMBL13892482 0.86 ADRB3 (0.50) ADRB3ADRA2BADRA2CCYP3A4TSHR
SCHEMBL14001907 0.85 ADRB3 (0.49) ADRB3ADRA2BADRA2CNAAACYP3A4

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-7662779-B2 Triazolyl macrocyclic hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2010-02-16 — — US disclosed
US-20090047248-A1 TRIAZOLYL MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2009-02-19 — — 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-20090047248-A1 TRIAZOLYL MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS SPINT2, PRSS1, CTSC ADRB3 4473/4885ADRA2B 4662/4885ADRA2C 4033/4885

“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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