SCHEMBL13531204

SCHEMBL13531204

COC(=O)[C@@]12C[C@@H]1/C=C\CCC/C=N/C(=O)[C@@H]1C[C@@H](O)CN1C(=O)N2

nearest known ligand 0.30

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ADRB3 P13945 1/20 0.30
▸ ADRA2B P18089 1/20 0.30
▸ ADRA2C P18825 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
SCHEMBL12368022 0.91 — —
SCHEMBL12368021 0.91 — —
SCHEMBL8003568 0.81 CTSB (0.35) —
SCHEMBL312570 0.81 CTSB (0.35) —
SCHEMBL12369329 0.77 — —
SCHEMBL12369293 0.76 — —
SCHEMBL13531207 0.76 GABRA1 (0.31) —
SCHEMBL10283470 0.74 CTSB (0.32) —
SCHEMBL15216165 0.74 CTSB (0.32) —
SCHEMBL7925281 0.74 ADRB3 (0.33) ADRB3ADRA2BADRA2C

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-20100016578-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2010-01-21 — — US disclosed
US-20090202480-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2009-08-13 — — 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 (2 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-20090202480-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 ADRB3 4433/4885ADRA2B 4379/4885ADRA2C 4404/4885
US-20100016578-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 ADRB3 4433/4885ADRA2B 4379/4885ADRA2C 4404/4885

“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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