SCHEMBL22657375

SCHEMBL22657375

O[C@@H]1c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2CC[C@H]1NCCF

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 2/20 0.47
MAOA P21397 5/20 0.43
MAOB P27338 5/20 0.43
HTR1A P08908 6/20 0.39
ADRA1D P25100 5/20 0.39
ADRA1A P35348 5/20 0.39
ADRA1B P35368 5/20 0.39
KDM1A O60341 1/20 0.39
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 1/20 0.38
SGMS2 Q8NHU3 1/20 0.37
NPC1 O15118 1/20 0.36
PKM P14618 1/20 0.36
RAB9A P51151 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36

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
SCHEMBL21054854 0.88 MAOA (0.46) ADRB2MAOAMAOBHTR1AADRA1D
SCHEMBL21092394 0.88 MAOA (0.46) ADRB2MAOAMAOBHTR1AADRA1D
SCHEMBL21053143 0.88 MAOA (0.46) ADRB2MAOAMAOBHTR1AADRA1D
SCHEMBL22657376 0.88 MAOA (0.46) ADRB2MAOAMAOBHTR1AADRA1D
SCHEMBL22657345 0.88 MAOA (0.46) ADRB2MAOAMAOBHTR1AADRA1D
SCHEMBL21092393 0.88 MAOA (0.46) ADRB2MAOAMAOBHTR1AADRA1D
SCHEMBL21054853 0.88 MAOA (0.46) ADRB2MAOAMAOBHTR1AADRA1D
SCHEMBL22657339 0.84 MAOA (0.44) MAOAMAOBHTR1AADRA1DADRA1A
SCHEMBL22682080 0.84 MAOA (0.45) MAOAMAOBHTR1AADRA1DADRA1A
SCHEMBL22657343 0.84 MAOB (0.45) MAOAMAOBHTR1AADRA1DADRA1A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11590089-B2 Beta-2 selective adrenergic receptor agonists THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2023-02-28 US disclosed
US-20200360304-A1 BETA-2 SELECTIVE ADRENERGIC RECEPTOR AGONISTS THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2020-11-19 US disclosed
US-20200360304-A1 BETA-2 SELECTIVE ADRENERGIC RECEPTOR AGONISTS THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2020-11-19 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-11590089-B2 Beta-2 selective adrenergic receptor agonists ADRB2, ADRB1, ADRA2C ADRB2 1/4885MAOA 1468/4885MAOB 1029/4885
US-20200360304-A1 BETA-2 SELECTIVE ADRENERGIC RECEPTOR AGONISTS ADRB2, ADRB1, ADRA2C ADRB2 1/4885MAOA 1468/4885MAOB 1029/4885

“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.