SCHEMBL21296746

SCHEMBL21296746

O=C1CCCC(c2ccccc2NC(=O)c2ccc(OCCN3CCCCC3)cc2)N1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 3/20 0.49
PSMB1 P20618 6/20 0.47
PSMB5 P28074 5/20 0.47
PSMB2 P49721 4/20 0.47
LTA4H P09960 1/20 0.47
BRD4 O60885 1/20 0.45
JAK1 P23458 1/20 0.45
HDAC1 Q13547 1/20 0.45
ADRA1D P25100 2/20 0.45
ADRA1A P35348 2/20 0.45
ADRA1B P35368 2/20 0.45
KDM4E B2RXH2 1/20 0.45
KDR P35968 3/20 0.44
MAOB P27338 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
FLT3 P36888 1/20 0.43
CYP1A2 P05177 1/20 0.43
GAA P10253 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43

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
SCHEMBL21296752 0.95 MCHR1 (0.50) MCHR1PSMB1PSMB5PSMB2LTA4H
SCHEMBL21296734 0.91 PSMB1 (0.51) MCHR1PSMB1PSMB5PSMB2LTA4H
SCHEMBL21296728 0.90 MCHR1 (0.49) MCHR1PSMB1PSMB5PSMB2LTA4H
SCHEMBL21296738 0.88 MCHR1 (0.49) MCHR1PSMB1PSMB5PSMB2LTA4H
SCHEMBL21296755 0.87 LTA4H (0.47) MCHR1PSMB1PSMB5PSMB2LTA4H
SCHEMBL21296836 0.85 PSMB1 (0.51) MCHR1PSMB1PSMB5PSMB2LTA4H
SCHEMBL21296743 0.85 PSMB1 (0.48) MCHR1PSMB1PSMB5PSMB2LTA4H
SCHEMBL21296751 0.84 PSMB1 (0.50) MCHR1PSMB1PSMB5PSMB2LTA4H
SCHEMBL21296797 0.84 PSMB1 (0.52) MCHR1PSMB1PSMB5PSMB2LTA4H
SCHEMBL21296812 0.84 PSMB1 (0.52) MCHR1PSMB1PSMB5PSMB2LTA4H

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-20240246943-A1 MULTIFACETED APPROACH TO NOVEL INTERLEUKIN-6 INHIBITORS University of Florida Research Fooundation, Incorporated (US) 2024-07-25 US disclosed
US-11530181-B2 IL-6 inhibitors and methods of treatment UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2022-12-20 US disclosed
US-11530181-B2 IL-6 inhibitors and methods of treatment UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2022-12-20 US disclosed
WO-2022226133-A1 MULTIFACETED APPROACH TO NOVEL INTERLEUKIN-6 INHIBITORS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2022-10-27 WO disclosed
US-20210206718-A1 IL-6 INHIBITORS AND METHODS OF TREATMENT UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED 2021-07-08 US disclosed
US-20210206718-A1 IL-6 INHIBITORS AND METHODS OF TREATMENT UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED 2021-07-08 US disclosed
WO-2019165158-A1 IL-6 INHIBITORS AND METHODS OF TREATMENT UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2019-08-29 WO disclosed
WO-2019165158-A1 IL-6 INHIBITORS AND METHODS OF TREATMENT UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2019-08-29 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 (3 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-11530181-B2 IL-6 inhibitors and methods of treatment IL6, IL6ST, IL2 MCHR1 1328/4885PSMB1 4575/4885PSMB5 3962/4885
US-20240246943-A1 MULTIFACETED APPROACH TO NOVEL INTERLEUKIN-6 INHIBITORS IL6, IL6ST, IL36G MCHR1 2394/4885PSMB1 3699/4885PSMB5 3347/4885
US-20210206718-A1 IL-6 INHIBITORS AND METHODS OF TREATMENT IL6, IL6ST, IL2 MCHR1 1328/4885PSMB1 4575/4885PSMB5 3962/4885

“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.