SCHEMBL22278963

SCHEMBL22278963

CC(C)NCC(COC(C)C)OP

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 1/20 0.31
▸ ADRB1 P08588 1/20 0.31
▸ ADRB3 P13945 1/20 0.31
▸ NR2E1 Q9Y466 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
SCHEMBL19607447 0.81 — —
SCHEMBL19542989 0.81 ADRB2 (0.31) ADRB2ADRB1ADRB3NR2E1
SCHEMBL25144632 0.75 ADH1B (0.30) —
SCHEMBL25144614 0.73 TSHR (0.40) ADRB2ADRB1ADRB3
SCHEMBL18016561 0.73 ADRB2 (0.31) ADRB2ADRB1ADRB3
SCHEMBL21788090 0.73 ADRB2 (0.33) ADRB2ADRB1ADRB3
SCHEMBL21788145 0.73 ADRB2 (0.33) ADRB2ADRB1ADRB3
SCHEMBL18016546 0.72 — —
SCHEMBL25144721 0.70 ADRB2 (0.34) ADRB2ADRB1ADRB3
SCHEMBL25144825 0.70 ADRB2 (0.34) ADRB2ADRB1ADRB3

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-11173144-B2 Adrenergic receptor modulating compounds and methods of using the same THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2021-11-16 — — US disclosed
US-20200237724-A1 ADRENERGIC RECEPTOR MODULATING COMPOUNDS AND METHODS OF USING THE SAME THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2020-07-30 — — 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-20200237724-A1 ADRENERGIC RECEPTOR MODULATING COMPOUNDS AND METHODS OF USING THE SAME ADRB1, ADRB2, ADRA1B ADRB2 2/4885ADRB1 1/4885ADRB3 9/4885
US-11173144-B2 Adrenergic receptor modulating compounds and methods of using the same ADRB1, ADRB2, ADRA1B ADRB2 2/4885ADRB1 1/4885ADRB3 9/4885

“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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