SCHEMBL22533909

SCHEMBL22533909

O=CC1CC1CCNC(=O)c1cc2ccccc2[nH]1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.58
▸ ALDH1A1 P00352 3/20 0.58
▸ HSD17B10 Q99714 3/20 0.57
▸ DRD2 P14416 2/20 0.57
▸ DRD3 P35462 2/20 0.57
▸ AKR1C3 P42330 1/20 0.56
▸ HTR2C P28335 1/20 0.56
▸ HDAC1 Q13547 3/20 0.55
▸ HDAC2 Q92769 3/20 0.55
▸ HDAC3 O15379 2/20 0.55
▸ HDAC4 P56524 2/20 0.55
▸ HDAC7 Q8WUI4 2/20 0.55
▸ HDAC10 Q969S8 2/20 0.55
▸ HDAC11 Q96DB2 2/20 0.55
▸ HDAC8 Q9BY41 2/20 0.55
▸ HDAC6 Q9UBN7 2/20 0.55
▸ HDAC9 Q9UKV0 2/20 0.55
▸ HDAC5 Q9UQL6 2/20 0.55
▸ GAA P10253 1/20 0.52
▸ MAPK1 P28482 1/20 0.52

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
SCHEMBL22533925 1.00 KDM4E (0.58) KDM4EALDH1A1HSD17B10DRD2DRD3
SCHEMBL22534003 1.00 KDM4E (0.58) KDM4EALDH1A1HSD17B10DRD2DRD3
SCHEMBL29460247 1.00 KDM4E (0.58) KDM4EALDH1A1HSD17B10DRD2DRD3
SCHEMBL22533884 0.89 KDM4E (0.57) KDM4EALDH1A1HSD17B10DRD2DRD3
SCHEMBL22534023 0.89 KDM4E (0.57) KDM4EALDH1A1HSD17B10DRD2DRD3
SCHEMBL22533885 0.89 KDM4E (0.57) KDM4EALDH1A1HSD17B10DRD2DRD3
SCHEMBL22533988 0.83 KDM4E (0.64) KDM4EALDH1A1HSD17B10DRD2DRD3
SCHEMBL22533902 0.83 KDM4E (0.64) KDM4EALDH1A1HSD17B10DRD2DRD3
SCHEMBL22533897 0.83 KDM4E (0.64) KDM4EALDH1A1HSD17B10DRD2DRD3
SCHEMBL29460261 0.83 KDM4E (0.64) KDM4EALDH1A1HSD17B10DRD2DRD3

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 KDM4E 4472/4885ALDH1A1 2173/4885HSD17B10 1376/4885
US-12479838-B2 D3 receptor agonist compounds; methods of preparation; intermediates thereof; and methods of use thereof DRD3, ADRB3, VDR KDM4E 4472/4885ALDH1A1 2173/4885HSD17B10 1376/4885

“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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