SCHEMBL497360

SCHEMBL497360

CCOC(=O)[C@@]12C[C@H]1/C=C\CCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H](OC(=O)N3Cc4cccc(F)c4C3)C[C@H]1C(=O)N2C(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ADRB3 P13945 1/20 0.31
▸ ADRA2B P18089 1/20 0.31
▸ ADRA2C P18825 1/20 0.31
▸ DDB1 Q16531 1/20 0.30
▸ CRBN Q96SW2 1/20 0.30
▸ REN P00797 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
SCHEMBL497208 0.96 ADRB3 (0.31) ADRB3ADRA2BADRA2CDDB1CRBN
SCHEMBL497209 0.96 ADRB3 (0.31) ADRB3ADRA2BADRA2CDDB1CRBN
SCHEMBL497701 0.96 ADRB3 (0.31) ADRB3ADRA2BADRA2C
SCHEMBL497700 0.96 ADRB3 (0.31) ADRB3ADRA2BADRA2C
SCHEMBL497392 0.94 ADRB3 (0.31) ADRB3ADRA2BADRA2C
SCHEMBL27412783 0.94 ADRB3 (0.31) ADRB3ADRA2BADRA2C
SCHEMBL497391 0.94 ADRB3 (0.31) ADRB3ADRA2BADRA2C
SCHEMBL15501104 0.92 ADRB3 (0.31) ADRB3ADRA2BADRA2C
SCHEMBL2548736 0.92 ADRB3 (0.35) ADRB3ADRA2BADRA2CDDB1CRBN
SCHEMBL15501097 0.90 ADRB3 (0.32) ADRB3ADRA2BADRA2CREN

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
EP-2323981-B1 PROCESS FOR THE PREPARATION OF A MACROCYCLE HOFFMANN LA ROCHE (CH) 2014-03-12 — — EP disclosed
US-8106187-B2 Process for the preparation of a macrocycle ROCHE PALO ALTO LLC (US) 2012-01-31 — — US disclosed
US-8106187-B2 Process for the preparation of a macrocycle ROCHE PALO ALTO LLC (US) 2012-01-31 — — US disclosed
US-20100036116-A1 Process for the preparation of a macrocycle F. HOFFMANN-LA ROCHE AG (CH) 2010-02-11 — — 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-20100036116-A1 Process for the preparation of a macrocycle CTRL, PREP, RNASE1 ADRB3 4455/4885ADRA2B 4384/4885ADRA2C 4215/4885

“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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