SCHEMBL22533895

SCHEMBL22533895

O=C1CCC(CNC(=O)c2cc3ccccc3[nH]2)C1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCN4A P35499 1/20 0.65
▸ SCN9A Q15858 1/20 0.65
▸ SCN3A Q9NY46 1/20 0.65
▸ KDM4E B2RXH2 5/20 0.58
▸ HSD17B10 Q99714 3/20 0.58
▸ HPGD P15428 1/20 0.58
▸ ALDH1A1 P00352 2/20 0.52
▸ GAA P10253 1/20 0.52
▸ MAPK1 P28482 1/20 0.52
▸ DRD2 P14416 1/20 0.51
▸ DRD3 P35462 1/20 0.51
▸ AKR1C3 P42330 1/20 0.50
▸ HTR2C P28335 1/20 0.50
▸ HDAC3 O15379 1/20 0.49
▸ HDAC4 P56524 1/20 0.49
▸ HDAC1 Q13547 1/20 0.49
▸ HDAC7 Q8WUI4 1/20 0.49
▸ HDAC2 Q92769 1/20 0.49
▸ HDAC10 Q969S8 1/20 0.49
▸ HDAC11 Q96DB2 1/20 0.49

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
SCHEMBL6885051 0.86 KDM4E (0.67) SCN4ASCN9ASCN3AKDM4EHSD17B10
SCHEMBL6885191 0.84 KDM4E (0.68) SCN4ASCN9ASCN3AKDM4EHSD17B10
SCHEMBL6883734 0.84 KDM4E (0.68) SCN4ASCN9ASCN3AKDM4EHSD17B10
SCHEMBL29460216 0.83 SCN4A (0.60) SCN4ASCN9ASCN3AKDM4EHSD17B10
SCHEMBL22534018 0.83 SCN4A (0.60) SCN4ASCN9ASCN3AKDM4EHSD17B10
SCHEMBL22534019 0.83 SCN4A (0.60) SCN4ASCN9ASCN3AKDM4EHSD17B10
SCHEMBL75509 0.83 KDM4E (0.67) SCN4ASCN9ASCN3AKDM4EHSD17B10
SCHEMBL18767312 0.81 MAOB (0.67) SCN4ASCN9ASCN3AKDM4EHSD17B10
SCHEMBL22534020 0.80 MAOB (0.60) SCN4ASCN9ASCN3AKDM4EHSD17B10
SCHEMBL18767964 0.79 SLC6A2 (0.59) SCN4ASCN9ASCN3AKDM4EHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12479838-B2 D3 receptor agonist compounds; methods of preparation; intermediates thereof; and methods of use thereof THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2025-11-25 — — US disclosed
US-20220220102-A1 D3 RECEPTOR AGONIST COMPOUNDS; METHODS OF PREPARATION; INTERMEDIATES THEREOF; AND METHODS OF USE THEREOF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2022-07-14 — — US disclosed
EP-3953350-A1 D3 RECEPTOR AGONIST COMPOUNDS; METHODS OF PREPARATION; INTERMEDIATES THEREOF; AND METHODS OF USE THEREOF The United States of America, as Represented by The Department of Health and Human Services (US) 2022-02-16 — — EP disclosed
WO-2020210785-A1 D3 RECEPTOR AGONIST COMPOUNDS; METHODS OF PREPARATION; INTERMEDIATES THEREOF; AND METHODS OF USE THEREOF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2020-10-15 — — WO 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-20220220102-A1 D3 RECEPTOR AGONIST COMPOUNDS; METHODS OF PREPARATION; INTERMEDIATES THEREOF; AND METHODS OF USE THEREOF DRD3, ADRB3, VDR SCN4A 1993/4885SCN9A 2898/4885SCN3A 610/4885
US-12479838-B2 D3 receptor agonist compounds; methods of preparation; intermediates thereof; and methods of use thereof DRD3, ADRB3, VDR SCN4A 1993/4885SCN9A 2898/4885SCN3A 610/4885

“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.

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