SCHEMBL14015678

SCHEMBL14015678

COC(=O)[C@]12CC(=O)[C@@H]3C[C@@H](O[Si](C)(C)C(C)(C)C)CN3C(=O)[C@@H](NC(=O)OC3CCCC3)CCCCC/C=C\[C@@H]1C2

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ADRB3 P13945 1/20 0.39
▸ ADRA2B P18089 1/20 0.39
▸ ADRA2C P18825 1/20 0.39

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
SCHEMBL12618506 0.86 ADRB3 (0.39) ADRB3ADRA2BADRA2C
SCHEMBL12618519 0.83 ADRB3 (0.40) ADRB3ADRA2BADRA2C
SCHEMBL12618503 0.81 ADRB3 (0.38) ADRB3ADRA2BADRA2C
SCHEMBL12618509 0.81 ADRB3 (0.38) ADRB3ADRA2BADRA2C
SCHEMBL12618491 0.81 ADRB3 (0.38) ADRB3ADRA2BADRA2C
SCHEMBL2239472 0.77 ADRB3 (0.42) ADRB3ADRA2BADRA2C
SCHEMBL2239478 0.77 ADRB3 (0.42) ADRB3ADRA2BADRA2C
SCHEMBL2239474 0.77 ADRB3 (0.42) ADRB3ADRA2BADRA2C
SCHEMBL7812408 0.77 ADRB3 (0.42) ADRB3ADRA2BADRA2C
SCHEMBL13617075 0.77 ADRB3 (0.42) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080242835-A1 Ring-Closing Metathesis Process for the Preparation of Macrocyclic Peptides BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-10-02 — — 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-20080242835-A1 Ring-Closing Metathesis Process for the Preparation of Macrocyclic Peptides VIP, NGLY1, HPN ADRB3 4386/4885ADRA2B 4715/4885ADRA2C 4653/4885

“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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