SCHEMBL22657355

SCHEMBL22657355

O=C(N[C@@H]1CCc2c(ccc(OCc3ccccc3)c2OCc2ccccc2)[C@H]1O)C1CC(F)(F)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.41
RAB9A P51151 3/20 0.41
PKM P14618 1/20 0.41
ADRB2 P07550 1/20 0.38
MAOA P21397 2/20 0.37
MAOB P27338 2/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 1/20 0.36
KDM1A O60341 1/20 0.35
SGMS2 Q8NHU3 1/20 0.35
FAAH O00519 1/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
CPB1 P15086 1/20 0.34
FABP4 P15090 1/20 0.34
EZH2 Q15910 1/20 0.34
APP P05067 1/20 0.34
CASP1 P29466 1/20 0.34
CASP3 P42574 1/20 0.34

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
SCHEMBL22657363 0.89 NPC1 (0.45) NPC1RAB9APKMMAOAMAOB
SCHEMBL22657334 0.83 ADRB2 (0.59) NPC1RAB9APKMADRB2MAOA
SCHEMBL22657335 0.79 KMT2A (0.40) NPC1RAB9APKMMAOAMAOB
SCHEMBL22657339 0.79 MAOA (0.44) NPC1RAB9APKMMAOAMAOB
SCHEMBL22657362 0.78 ADRB2 (0.52) NPC1RAB9APKMADRB2MAOA
SCHEMBL22657371 0.78 ADRB2 (0.52) NPC1RAB9APKMADRB2MAOA
SCHEMBL30207384 0.78 ADRB2 (0.52) NPC1RAB9APKMADRB2MAOA
SCHEMBL21091942 0.78 ADRB2 (0.52) NPC1RAB9APKMADRB2MAOA
SCHEMBL22657360 0.78 ADRB2 (0.52) NPC1RAB9APKMADRB2MAOA
SCHEMBL21054854 0.78 MAOA (0.46) NPC1RAB9APKMADRB2MAOA

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-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 (1 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-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.