SCHEMBL22657363

SCHEMBL22657363

O=C(N[C@@H]1CCc2c(ccc(OCc3ccccc3)c2OCc2ccccc2)[C@H]1O)C1CCC1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.45
RAB9A P51151 3/20 0.45
PKM P14618 1/20 0.45
ALDH1A1 P00352 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
SGMS2 Q8NHU3 1/20 0.40
MAOA P21397 2/20 0.39
MAOB P27338 2/20 0.39
USP2 O75604 1/20 0.39
HPGD P15428 1/20 0.39
CYP19A1 P11511 1/20 0.38
KDM1A O60341 1/20 0.37
PTGER1 P34995 1/20 0.37
LIPG Q9Y5X9 1/20 0.37
LMNA P02545 2/20 0.36
CPB1 P15086 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
SCHEMBL22657355 0.89 NPC1 (0.41) NPC1RAB9APKMALDH1A1MEN1
SCHEMBL22657339 0.82 MAOA (0.44) NPC1RAB9APKMMEN1KMT2A
SCHEMBL21053126 0.81 ADRB2 (0.52) NPC1RAB9APKMALDH1A1MEN1
SCHEMBL22657371 0.81 ADRB2 (0.52) NPC1RAB9APKMALDH1A1MEN1
SCHEMBL22657373 0.81 ADRB2 (0.52) NPC1RAB9APKMALDH1A1MEN1
SCHEMBL22657362 0.81 ADRB2 (0.52) NPC1RAB9APKMALDH1A1MEN1
SCHEMBL30207384 0.81 ADRB2 (0.52) NPC1RAB9APKMALDH1A1MEN1
SCHEMBL21092393 0.81 MAOA (0.46) NPC1RAB9APKMALDH1A1MEN1
SCHEMBL22657345 0.81 MAOA (0.46) NPC1RAB9APKMALDH1A1MEN1
SCHEMBL21054853 0.81 MAOA (0.46) NPC1RAB9APKMALDH1A1MEN1

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 NPC1 1900/4885RAB9A 2534/4885PKM 2910/4885
US-20200360304-A1 BETA-2 SELECTIVE ADRENERGIC RECEPTOR AGONISTS ADRB2, ADRB1, ADRA2C NPC1 1900/4885RAB9A 2534/4885PKM 2910/4885

“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.