SCHEMBL22657352

SCHEMBL22657352

O[C@@H]1c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2CC[C@H]1NCC1CCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 4/20 0.43
MAOB P27338 4/20 0.43
ADRB2 P07550 2/20 0.42
KDM1A O60341 1/20 0.38
MEN1 O00255 2/20 0.37
ALDH1A1 P00352 2/20 0.37
KMT2A Q03164 2/20 0.37
C5AR1 P21730 2/20 0.37
SGMS2 Q8NHU3 1/20 0.36
HTR1A P08908 3/20 0.36
ADRA1D P25100 2/20 0.36
ADRA1A P35348 2/20 0.36
ADRA1B P35368 2/20 0.36
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
LIPG Q9Y5X9 1/20 0.35

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
SCHEMBL22657334 0.88 ADRB2 (0.59) MAOAMAOBADRB2KDM1AHTR1A
SCHEMBL21054854 0.87 MAOA (0.46) MAOAMAOBADRB2KDM1AMEN1
SCHEMBL22657345 0.87 MAOA (0.46) MAOAMAOBADRB2KDM1AMEN1
SCHEMBL21053143 0.87 MAOA (0.46) MAOAMAOBADRB2KDM1AMEN1
SCHEMBL22657376 0.87 MAOA (0.46) MAOAMAOBADRB2KDM1AMEN1
SCHEMBL21092394 0.87 MAOA (0.46) MAOAMAOBADRB2KDM1AMEN1
SCHEMBL21092393 0.87 MAOA (0.46) MAOAMAOBADRB2KDM1AMEN1
SCHEMBL21054853 0.87 MAOA (0.46) MAOAMAOBADRB2KDM1AMEN1
SCHEMBL22657375 0.84 ADRB2 (0.47) MAOAMAOBADRB2KDM1AMEN1
SCHEMBL22657339 0.84 MAOA (0.44) MAOAMAOBKDM1AMEN1KMT2A

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 1029/4885ADRB2 1/4885
US-20200360304-A1 BETA-2 SELECTIVE ADRENERGIC RECEPTOR AGONISTS ADRB2, ADRB1, ADRA2C MAOA 1468/4885MAOB 1029/4885ADRB2 1/4885

“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.