SCHEMBL22278959

SCHEMBL22278959

O=C(NCCNC[C@H](O)COc1ccc(F)cc1)N1CCOCC1

nearest known ligand 0.82

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 9/20 0.82
ADRB3 P13945 7/20 0.82
ADRB2 P07550 5/20 0.82
LMNA P02545 2/20 0.82
NFKB1 P19838 1/20 0.82
HIF1A Q16665 1/20 0.82
HSD17B10 Q99714 1/20 0.82
NR1I2 O75469 1/20 0.82
PTGS2 P35354 1/20 0.82
MEN1 O00255 2/20 0.74
KMT2A Q03164 2/20 0.74
MAPT P10636 1/20 0.74
BLM P54132 1/20 0.74
SMN1; SMN2 Q16637 2/20 0.55
FKBP1A P62942 1/20 0.51
NPC1 O15118 1/20 0.45

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
Xamoterol SCHEMBL64461 0.90 ADRB1 (1.00) ADRB1ADRB3ADRB2LMNANFKB1
Xamoterol SCHEMBL30897538 0.90 ADRB1 (1.00) ADRB1ADRB3ADRB2LMNANFKB1
Xamoterol SCHEMBL11533496 0.90 ADRB1 (1.00) ADRB1ADRB3ADRB2LMNANFKB1
Xamoterol SCHEMBL3697718 0.89 ADRB1 (0.98) ADRB1ADRB3ADRB2LMNANFKB1
Xamoterol SCHEMBL3702016 0.89 ADRB1 (0.98) ADRB1ADRB3ADRB2LMNANFKB1
SCHEMBL22279241 0.89 ADRB1 (0.82) ADRB1ADRB3ADRB2LMNANFKB1
SCHEMBL19607348 0.89 ADRB1 (0.82) ADRB1ADRB3ADRB2LMNANFKB1
SCHEMBL22279239 0.89 ADRB1 (0.78) ADRB1ADRB3ADRB2LMNANFKB1
SCHEMBL19607307 0.89 ADRB3 (0.74) ADRB1ADRB3ADRB2LMNANFKB1
SCHEMBL22279263 0.89 ADRB1 (0.78) ADRB1ADRB3ADRB2LMNANFKB1

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 ADRB1 1/4885ADRB3 9/4885ADRB2 2/4885
US-11173144-B2 Adrenergic receptor modulating compounds and methods of using the same ADRB1, ADRB2, ADRA1B ADRB1 1/4885ADRB3 9/4885ADRB2 2/4885

“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.