SCHEMBL22657339

SCHEMBL22657339

CN[C@@H]1CCc2c(ccc(OCc3ccccc3)c2OCc2ccccc2)[C@H]1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 4/20 0.44
MAOB P27338 4/20 0.44
KDM1A O60341 1/20 0.43
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
PKM P14618 1/20 0.41
HTR1A P08908 5/20 0.39
ADRA1D P25100 4/20 0.39
ADRA1A P35348 4/20 0.39
ADRA1B P35368 4/20 0.39
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
C5AR1 P21730 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 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
SCHEMBL30207384 0.88 ADRB2 (0.52) MAOAMAOBKDM1ANPC1RAB9A
SCHEMBL22657360 0.88 ADRB2 (0.52) MAOAMAOBKDM1ANPC1RAB9A
SCHEMBL22657362 0.88 ADRB2 (0.52) MAOAMAOBKDM1ANPC1RAB9A
SCHEMBL22657361 0.88 ADRB2 (0.52) MAOAMAOBKDM1ANPC1RAB9A
SCHEMBL21092394 0.87 MAOA (0.46) MAOAMAOBKDM1ANPC1RAB9A
SCHEMBL22657345 0.87 MAOA (0.46) MAOAMAOBKDM1ANPC1RAB9A
SCHEMBL21054853 0.87 MAOA (0.46) MAOAMAOBKDM1ANPC1RAB9A
SCHEMBL21054854 0.87 MAOA (0.46) MAOAMAOBKDM1ANPC1RAB9A
SCHEMBL21092393 0.87 MAOA (0.46) MAOAMAOBKDM1ANPC1RAB9A
SCHEMBL21053143 0.87 MAOA (0.46) MAOAMAOBKDM1ANPC1RAB9A

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 MAOA 1468/4885MAOB 1029/4885KDM1A 4832/4885
US-20200360304-A1 BETA-2 SELECTIVE ADRENERGIC RECEPTOR AGONISTS ADRB2, ADRB1, ADRA2C MAOA 1468/4885MAOB 1029/4885KDM1A 4832/4885

“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.