SCHEMBL23211611

SCHEMBL23211611

CNC[C@H](Cc1ccc(C)cc1)Nc1ncccc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.46
MAPT P10636 4/20 0.44
RAB9A P51151 2/20 0.44
KMT2A Q03164 5/20 0.43
MEN1 O00255 4/20 0.43
ITGB1 P05556 1/20 0.43
ITGA4 P13612 1/20 0.43
NFKB1 P19838 1/20 0.43
MAPK1 P28482 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
PAX8 Q06710 1/20 0.43
TP53 P04637 1/20 0.41
ALDH1A1 P00352 2/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
LMNA P02545 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
PKM P14618 1/20 0.40
RXFP1 Q9HBX9 1/20 0.39

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
SCHEMBL23211613 1.00 NPC1 (0.46) NPC1MAPTRAB9AKMT2AMEN1
SCHEMBL21410866 0.87 NPC1 (0.46) NPC1MAPTRAB9AKMT2AMEN1
SCHEMBL23211363 0.87 NPC1 (0.46) NPC1MAPTRAB9AKMT2AMEN1
SCHEMBL23211288 0.87 NPC1 (0.46) NPC1MAPTRAB9AKMT2AMEN1
SCHEMBL23211287 0.87 NPC1 (0.46) NPC1MAPTRAB9AKMT2AMEN1
SCHEMBL21410988 0.85 NPC1 (0.50) NPC1MAPTRAB9AKMT2AMEN1
SCHEMBL23211436 0.85 NPC1 (0.50) NPC1MAPTRAB9AKMT2AMEN1
SCHEMBL21410958 0.85 HCRTR2 (0.43) NPC1MAPTRAB9AKMT2AMEN1
SCHEMBL21410959 0.85 HCRTR2 (0.43) NPC1MAPTRAB9AKMT2AMEN1
SCHEMBL28498378 0.83 NPC1 (0.49) NPC1MAPTRAB9AKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240174685-A1 OX2R Compounds BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2024-05-30 US disclosed
US-11905297-B2 OX2R compounds BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2024-02-20 US disclosed
US-20230122024-A1 OX2R Compounds BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2023-04-20 US disclosed
US-11479560-B2 OX2R compounds BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2022-10-25 US disclosed
US-11472813-B2 OX2R compounds BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2022-10-18 US disclosed
US-20210163494-A1 OX2R Compounds BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2021-06-03 US disclosed
US-20210107914-A1 OX2R Compounds BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2021-04-15 US disclosed
CN-112165940-A OX2R compound 德克萨斯州立大学董事会 2021-01-01 CN 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 (7 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-11479560-B2 OX2R compounds HCRTR2, HCRTR1, OXTR NPC1 2864/4885MAPT 1995/4885RAB9A 1793/4885
US-11905297-B2 OX2R compounds HCRTR2, HCRTR1, OXTR NPC1 2864/4885MAPT 1995/4885RAB9A 1793/4885
US-20240174685-A1 OX2R Compounds HCRTR2, HCRTR1, OXTR NPC1 2864/4885MAPT 1995/4885RAB9A 1793/4885
US-20210107914-A1 OX2R Compounds HCRTR2, HCRTR1, OXTR NPC1 2864/4885MAPT 1995/4885RAB9A 1793/4885
US-20230122024-A1 OX2R Compounds HCRTR2, HCRTR1, OXTR NPC1 2864/4885MAPT 1995/4885RAB9A 1793/4885
US-11472813-B2 OX2R compounds HCRTR2, HCRTR1, OXTR NPC1 2864/4885MAPT 1995/4885RAB9A 1793/4885
US-20210163494-A1 OX2R Compounds HCRTR2, HCRTR1, OXTR NPC1 2864/4885MAPT 1995/4885RAB9A 1793/4885

“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.